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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:38:05 UTC
Update Date2022-03-07 02:52:38 UTC
HMDB IDHMDB0030633
Secondary Accession Numbers
  • HMDB30633
Metabolite Identification
Common NameCastacrenin C
DescriptionCastacrenin C belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Castacrenin C is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, castacrenin C has been detected, but not quantified in, nuts. This could make castacrenin C a potential biomarker for the consumption of these foods.
Structure
Data?1563862015
SynonymsNot Available
Chemical FormulaC27H18O17
Average Molecular Weight614.4216
Monoisotopic Molecular Weight614.05439915
IUPAC Name6,7,13,14-tetrahydroxy-5-[5,6,7-trihydroxy-1-oxo-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-8-yl]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Traditional Name6,7,13,14-tetrahydroxy-5-[5,6,7-trihydroxy-1-oxo-3-(1,2,3,4-tetrahydroxybutyl)isochromen-8-yl]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
CAS Registry Number173450-72-1
SMILES
OCC(O)C(O)C(O)C1=CC2=C(C(=O)O1)C(=C(O)C(O)=C2O)C1=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC(C(O)=C1O)=C24
InChI Identifier
InChI=1S/C27H18O17/c28-3-7(30)16(32)18(34)8-2-4-10(26(40)42-8)11(19(35)21(37)15(4)31)12-14-13-9-5(25(39)43-24(13)22(38)20(12)36)1-6(29)17(33)23(9)44-27(14)41/h1-2,7,16,18,28-38H,3H2
InChI KeyAQPVDJOZILVCEZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassTannins
Sub ClassHydrolyzable tannins
Direct ParentHydrolyzable tannins
Alternative Parents
Substituents
  • Hydrolyzable tannin
  • Ellagic_acid
  • Biphenol
  • 7,8-dihydroxycoumarin
  • Coumarin
  • Isocoumarin
  • Benzopyran
  • 1-benzopyran
  • 2-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • Pyranone
  • Pyran
  • Benzenoid
  • Heteroaromatic compound
  • Secondary alcohol
  • Lactone
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Alcohol
  • Primary alcohol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Aromatic alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point240 - 243 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.4 g/LALOGPS
logP1.63ALOGPS
logP0.4ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)5.27ChemAxon
pKa (Strongest Basic)-3.8ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count11ChemAxon
Polar Surface Area301.43 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity142.36 m³·mol⁻¹ChemAxon
Polarizability56.11 ųChemAxon
Number of Rings6ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+237.15331661259
DarkChem[M-H]-226.77431661259
DeepCCS[M-2H]-260.07630932474
DeepCCS[M+Na]+234.26630932474
AllCCS[M+H]+231.132859911
AllCCS[M+H-H2O]+229.632859911
AllCCS[M+NH4]+232.432859911
AllCCS[M+Na]+232.832859911
AllCCS[M-H]-234.832859911
AllCCS[M+Na-2H]-236.632859911
AllCCS[M+HCOO]-238.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Castacrenin COCC(O)C(O)C(O)C1=CC2=C(C(=O)O1)C(=C(O)C(O)=C2O)C1=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC(C(O)=C1O)=C246209.0Standard polar33892256
Castacrenin COCC(O)C(O)C(O)C1=CC2=C(C(=O)O1)C(=C(O)C(O)=C2O)C1=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC(C(O)=C1O)=C242976.5Standard non polar33892256
Castacrenin COCC(O)C(O)C(O)C1=CC2=C(C(=O)O1)C(=C(O)C(O)=C2O)C1=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC(C(O)=C1O)=C245919.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Castacrenin C,1TMS,isomer #1C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15770.0Semi standard non polar33892256
Castacrenin C,1TMS,isomer #10C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C(O)C3=C2C(=O)OC(C(O)C(O)C(O)CO)=C3)=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC1=C245810.7Semi standard non polar33892256
Castacrenin C,1TMS,isomer #11C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25784.2Semi standard non polar33892256
Castacrenin C,1TMS,isomer #2C[Si](C)(C)OC(CO)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15779.3Semi standard non polar33892256
Castacrenin C,1TMS,isomer #3C[Si](C)(C)OC(C(O)CO)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15794.9Semi standard non polar33892256
Castacrenin C,1TMS,isomer #4C[Si](C)(C)OC(C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O1)C(O)C(O)CO5877.1Semi standard non polar33892256
Castacrenin C,1TMS,isomer #5C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245790.1Semi standard non polar33892256
Castacrenin C,1TMS,isomer #6C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O5786.2Semi standard non polar33892256
Castacrenin C,1TMS,isomer #7C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O)C(O)CO)OC2=O5795.6Semi standard non polar33892256
Castacrenin C,1TMS,isomer #8C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5896.6Semi standard non polar33892256
Castacrenin C,1TMS,isomer #9C[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O)C(O)C(O)CO)=C6)C(O)=C3O)C(=O)OC1=C245798.0Semi standard non polar33892256
Castacrenin C,2TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15633.2Semi standard non polar33892256
Castacrenin C,2TMS,isomer #10C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O[Si](C)(C)C)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15593.9Semi standard non polar33892256
Castacrenin C,2TMS,isomer #11C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15623.9Semi standard non polar33892256
Castacrenin C,2TMS,isomer #12C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15665.1Semi standard non polar33892256
Castacrenin C,2TMS,isomer #13C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O)C(CO)O[Si](C)(C)C)OC2=O5544.6Semi standard non polar33892256
Castacrenin C,2TMS,isomer #14C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=CC2=C1O5509.9Semi standard non polar33892256
Castacrenin C,2TMS,isomer #15C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(CO)O[Si](C)(C)C)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245565.3Semi standard non polar33892256
Castacrenin C,2TMS,isomer #16C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25566.0Semi standard non polar33892256
Castacrenin C,2TMS,isomer #17C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C(O)C3=C2C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=C3)=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC1=C245572.2Semi standard non polar33892256
Castacrenin C,2TMS,isomer #18C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=C5)C(O)=C(O)C(=C13)OC2=O5622.8Semi standard non polar33892256
Castacrenin C,2TMS,isomer #19C[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=C6)C(O)=C3O)C(=O)OC1=C245569.1Semi standard non polar33892256
Castacrenin C,2TMS,isomer #2C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15615.1Semi standard non polar33892256
Castacrenin C,2TMS,isomer #20C[Si](C)(C)OC(C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O1)C(O[Si](C)(C)C)C(O)CO5719.5Semi standard non polar33892256
Castacrenin C,2TMS,isomer #21C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O[Si](C)(C)C)C(O)CO)OC2=O5553.5Semi standard non polar33892256
Castacrenin C,2TMS,isomer #22C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=CC2=C1O5529.0Semi standard non polar33892256
Castacrenin C,2TMS,isomer #23C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O[Si](C)(C)C)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245578.3Semi standard non polar33892256
Castacrenin C,2TMS,isomer #24C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25584.5Semi standard non polar33892256
Castacrenin C,2TMS,isomer #25C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C(O)C3=C2C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=C3)=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC1=C245586.7Semi standard non polar33892256
Castacrenin C,2TMS,isomer #26C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5633.8Semi standard non polar33892256
Castacrenin C,2TMS,isomer #27C[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=C6)C(O)=C3O)C(=O)OC1=C245580.9Semi standard non polar33892256
Castacrenin C,2TMS,isomer #28C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O[Si](C)(C)C)C(O)C(O)CO)OC2=O5657.5Semi standard non polar33892256
Castacrenin C,2TMS,isomer #29C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=CC2=C1O5635.3Semi standard non polar33892256
Castacrenin C,2TMS,isomer #3C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15651.9Semi standard non polar33892256
Castacrenin C,2TMS,isomer #30C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O[Si](C)(C)C)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245683.4Semi standard non polar33892256
Castacrenin C,2TMS,isomer #31C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25677.6Semi standard non polar33892256
Castacrenin C,2TMS,isomer #32C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C(O)C3=C2C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=C3)=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC1=C245683.7Semi standard non polar33892256
Castacrenin C,2TMS,isomer #33C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5737.4Semi standard non polar33892256
Castacrenin C,2TMS,isomer #34C[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=C6)C(O)=C3O)C(=O)OC1=C245686.1Semi standard non polar33892256
Castacrenin C,2TMS,isomer #35C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O5610.8Semi standard non polar33892256
Castacrenin C,2TMS,isomer #36C[Si](C)(C)OC1=C(O)C(O[Si](C)(C)C)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245648.7Semi standard non polar33892256
Castacrenin C,2TMS,isomer #37C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O[Si](C)(C)C)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245599.9Semi standard non polar33892256
Castacrenin C,2TMS,isomer #38C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O[Si](C)(C)C)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245604.2Semi standard non polar33892256
Castacrenin C,2TMS,isomer #39C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O[Si](C)(C)C)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5658.7Semi standard non polar33892256
Castacrenin C,2TMS,isomer #4C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O[Si](C)(C)C)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15571.6Semi standard non polar33892256
Castacrenin C,2TMS,isomer #40C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O[Si](C)(C)C)C(O)=C3)OC(=O)C1=C245598.6Semi standard non polar33892256
Castacrenin C,2TMS,isomer #41C[Si](C)(C)OC1=C(O)C(C2=C(O[Si](C)(C)C)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O5551.2Semi standard non polar33892256
Castacrenin C,2TMS,isomer #42C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O[Si](C)(C)C)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O5555.3Semi standard non polar33892256
Castacrenin C,2TMS,isomer #43C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O[Si](C)(C)C)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5615.3Semi standard non polar33892256
Castacrenin C,2TMS,isomer #44C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O5549.2Semi standard non polar33892256
Castacrenin C,2TMS,isomer #45C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O[Si](C)(C)C5594.3Semi standard non polar33892256
Castacrenin C,2TMS,isomer #46C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O[Si](C)(C)C)C4=C1C(=O)OC(C(O)C(O)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25570.9Semi standard non polar33892256
Castacrenin C,2TMS,isomer #47C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O[Si](C)(C)C)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O)C(O)CO)OC2=O5577.5Semi standard non polar33892256
Castacrenin C,2TMS,isomer #48C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O[Si](C)(C)C)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5642.1Semi standard non polar33892256
Castacrenin C,2TMS,isomer #49C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O)C(O)CO)OC2=O5574.2Semi standard non polar33892256
Castacrenin C,2TMS,isomer #5C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O[Si](C)(C)C)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15530.9Semi standard non polar33892256
Castacrenin C,2TMS,isomer #50C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O[Si](C)(C)C)C(=C13)OC2=O5660.6Semi standard non polar33892256
Castacrenin C,2TMS,isomer #51C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O[Si](C)(C)C)=C(O)C(=C13)OC2=O5656.5Semi standard non polar33892256
Castacrenin C,2TMS,isomer #52C[Si](C)(C)OC1=CC2=C3C(=C1O[Si](C)(C)C)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5703.3Semi standard non polar33892256
Castacrenin C,2TMS,isomer #53C[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O)C(O)C(O)CO)=C6)C(O)=C3O[Si](C)(C)C)C(=O)OC1=C245611.7Semi standard non polar33892256
Castacrenin C,2TMS,isomer #54C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O)C(O)CO)=C4)C(=O)OC1=C(O[Si](C)(C)C)C(O)=CC(=C13)C(=O)O25604.2Semi standard non polar33892256
Castacrenin C,2TMS,isomer #55C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25673.3Semi standard non polar33892256
Castacrenin C,2TMS,isomer #6C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O[Si](C)(C)C)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15589.2Semi standard non polar33892256
Castacrenin C,2TMS,isomer #7C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O[Si](C)(C)C)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15584.1Semi standard non polar33892256
Castacrenin C,2TMS,isomer #8C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O[Si](C)(C)C)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15587.3Semi standard non polar33892256
Castacrenin C,2TMS,isomer #9C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O[Si](C)(C)C)=C5)OC(=O)C3=C46)=C2C(=O)O15634.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15498.2Semi standard non polar33892256
Castacrenin C,3TMS,isomer #10C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15524.5Semi standard non polar33892256
Castacrenin C,3TMS,isomer #100C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O[Si](C)(C)C)C(O)CO)OC(=O)C2=C1C1=C(O[Si](C)(C)C)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245380.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #101C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O[Si](C)(C)C)C(O)CO)OC(=O)C2=C1C1=C(O)C(O[Si](C)(C)C)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245371.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #102C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O[Si](C)(C)C)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5420.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #103C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O[Si](C)(C)C)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O[Si](C)(C)C)C(O)=C3)OC(=O)C1=C245379.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #104C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25440.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #105C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=C5)C(O[Si](C)(C)C)=C(O)C(=C13)OC2=O5412.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #106C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=C4)C(=O)OC1=C(O[Si](C)(C)C)C(O)=CC(=C13)C(=O)O25373.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #107C[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=C6)C(O)=C3O[Si](C)(C)C)C(=O)OC1=C245361.9Semi standard non polar33892256
Castacrenin C,3TMS,isomer #108C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=C5)C(O)=C(O[Si](C)(C)C)C(=C13)OC2=O5403.9Semi standard non polar33892256
Castacrenin C,3TMS,isomer #109C[Si](C)(C)OC1=CC2=C3C(=C1O[Si](C)(C)C)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5483.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #11C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C1=CC2=C(O[Si](C)(C)C)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15394.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #110C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=CC2=C1O[Si](C)(C)C5448.5Semi standard non polar33892256
Castacrenin C,3TMS,isomer #111C[Si](C)(C)OC1=C(O)C(O[Si](C)(C)C)=C2C=C(C(O[Si](C)(C)C)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245482.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #112C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O[Si](C)(C)C)C4=C1C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25427.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #113C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O[Si](C)(C)C)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O[Si](C)(C)C)C(O)C(O)CO)OC2=O5420.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #114C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O[Si](C)(C)C)C5=C4C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5474.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #115C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O[Si](C)(C)C)C(O)C(O)CO)OC2=O5428.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #116C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=CC2=C1O5464.5Semi standard non polar33892256
Castacrenin C,3TMS,isomer #117C[Si](C)(C)OC1=C(O)C(C2=C(O[Si](C)(C)C)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=CC2=C1O5417.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #118C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O[Si](C)(C)C)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=CC2=C1O5413.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #119C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O[Si](C)(C)C)=C(O)C5=C4C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5457.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #12C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C1=CC2=C(O)C(O[Si](C)(C)C)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15360.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #120C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=CC2=C1O5418.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #121C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O[Si](C)(C)C)C(O)C(O)CO)OC(=O)C2=C1C1=C(O[Si](C)(C)C)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245455.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #122C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O[Si](C)(C)C)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O[Si](C)(C)C)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245446.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #123C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O[Si](C)(C)C)C(O)=C(O)C5=C4C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5492.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #124C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O[Si](C)(C)C)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O[Si](C)(C)C)C(O)=C3)OC(=O)C1=C245452.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #125C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25526.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #126C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=C5)C(O[Si](C)(C)C)=C(O)C(=C13)OC2=O5491.9Semi standard non polar33892256
Castacrenin C,3TMS,isomer #127C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=C4)C(=O)OC1=C(O[Si](C)(C)C)C(O)=CC(=C13)C(=O)O25457.2Semi standard non polar33892256
Castacrenin C,3TMS,isomer #128C[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=C6)C(O)=C3O[Si](C)(C)C)C(=O)OC1=C245446.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #129C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=C5)C(O)=C(O[Si](C)(C)C)C(=C13)OC2=O5485.2Semi standard non polar33892256
Castacrenin C,3TMS,isomer #13C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C1=CC2=C(O)C(O)=C(O[Si](C)(C)C)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15399.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #130C[Si](C)(C)OC1=CC2=C3C(=C1O[Si](C)(C)C)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O[Si](C)(C)C)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5564.9Semi standard non polar33892256
Castacrenin C,3TMS,isomer #131C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(C2=C(O[Si](C)(C)C)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O5431.5Semi standard non polar33892256
Castacrenin C,3TMS,isomer #132C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(C2=C(O)C(O[Si](C)(C)C)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O5418.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #133C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5462.2Semi standard non polar33892256
Castacrenin C,3TMS,isomer #134C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O5429.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #135C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O[Si](C)(C)C5501.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #136C[Si](C)(C)OC1=C(O)C(O[Si](C)(C)C)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O[Si](C)(C)C)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245457.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #137C[Si](C)(C)OC1=C(O)C(O[Si](C)(C)C)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O[Si](C)(C)C)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245450.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #138C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5499.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #139C[Si](C)(C)OC1=C(O)C(O[Si](C)(C)C)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O[Si](C)(C)C)C(O)=C3)OC(=O)C1=C245460.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #14C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O[Si](C)(C)C)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15408.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #140C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245462.2Semi standard non polar33892256
Castacrenin C,3TMS,isomer #141C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O[Si](C)(C)C)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O[Si](C)(C)C)=C(O)C(=C13)OC2=O5446.5Semi standard non polar33892256
Castacrenin C,3TMS,isomer #142C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O[Si](C)(C)C)C(O)=C2OC(=O)C3=C4C(=C(O[Si](C)(C)C)C(O)=C3)OC(=O)C1=C245414.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #143C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O[Si](C)(C)C)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O[Si](C)(C)C)C(=C13)OC2=O5440.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #144C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O[Si](C)(C)C)=C2OC(=O)C3=C4C(=C(O[Si](C)(C)C)C(O)=C3)OC(=O)C1=C245408.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #145C[Si](C)(C)OC1=CC2=C3C(=C1O[Si](C)(C)C)OC(=O)C1=C(C4=C(O[Si](C)(C)C)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5510.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #146C[Si](C)(C)OC1=C(O)C(C2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O5413.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #147C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O[Si](C)(C)C)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O[Si](C)(C)C)=C(O)C(=C13)OC2=O5445.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #148C[Si](C)(C)OC1=C(O)C(C2=C(O[Si](C)(C)C)C(O)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O5422.9Semi standard non polar33892256
Castacrenin C,3TMS,isomer #149C[Si](C)(C)OC1=C(O)C(C2=C(O[Si](C)(C)C)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O[Si](C)(C)C5428.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #15C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O[Si](C)(C)C)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15392.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #150C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O[Si](C)(C)C)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O[Si](C)(C)C)C(=C13)OC2=O5447.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #151C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O[Si](C)(C)C)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O5415.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #152C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O[Si](C)(C)C)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O[Si](C)(C)C5417.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #153C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5468.9Semi standard non polar33892256
Castacrenin C,3TMS,isomer #154C[Si](C)(C)OC1=CC2=C3C(=C1O[Si](C)(C)C)OC(=O)C1=C(C4=C(O)C(O[Si](C)(C)C)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5459.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #155C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O[Si](C)(C)C5429.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #156C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C3C(=C1C1=C(O)C(O)=C(O[Si](C)(C)C)C4=C1C(=O)OC(C(O)C(O)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25447.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #157C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O[Si](C)(C)C)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O[Si](C)(C)C)=C(O)C(=C13)OC2=O5460.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #158C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O[Si](C)(C)C)C4=C1C(=O)OC(C(O)C(O)C(O)CO)=C4)C(=O)OC1=C(O[Si](C)(C)C)C(O)=CC(=C13)C(=O)O25427.2Semi standard non polar33892256
Castacrenin C,3TMS,isomer #159C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O[Si](C)(C)C)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O[Si](C)(C)C)C(=C13)OC2=O5457.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #16C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O[Si](C)(C)C)=C5)OC(=O)C3=C46)=C2C(=O)O15451.9Semi standard non polar33892256
Castacrenin C,3TMS,isomer #160C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O[Si](C)(C)C)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O)C(O)CO)OC2=O5423.5Semi standard non polar33892256
Castacrenin C,3TMS,isomer #161C[Si](C)(C)OC1=CC2=C3C(=C1O[Si](C)(C)C)OC(=O)C1=C(C4=C(O)C(O)=C(O[Si](C)(C)C)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5497.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #162C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=C13)OC2=O5495.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #163C[Si](C)(C)OC1=CC2=C3C(=C1O[Si](C)(C)C)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O[Si](C)(C)C)C(=C13)OC2=O5500.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #164C[Si](C)(C)OC1=CC2=C3C(=C1O[Si](C)(C)C)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O[Si](C)(C)C)=C(O)C(=C13)OC2=O5509.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #165C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O)C(O)CO)=C4)C(=O)OC1=C(O[Si](C)(C)C)C(O)=CC(=C13)C(=O)O25466.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #17C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O[Si](C)(C)C)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15406.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #18C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C1=CC2=C(O[Si](C)(C)C)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15409.9Semi standard non polar33892256
Castacrenin C,3TMS,isomer #19C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C1=CC2=C(O)C(O[Si](C)(C)C)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15393.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15522.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #20C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C1=CC2=C(O)C(O)=C(O[Si](C)(C)C)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15442.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #21C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C1=CC2=C(O)C(O)=C(O)C(C3=C(O[Si](C)(C)C)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15451.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #22C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O[Si](C)(C)C)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15436.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #23C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O[Si](C)(C)C)=C5)OC(=O)C3=C46)=C2C(=O)O15480.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #24C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O[Si](C)(C)C)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15446.2Semi standard non polar33892256
Castacrenin C,3TMS,isomer #25C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15376.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #26C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15406.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #27C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O[Si](C)(C)C)C(O)=C(O)C(C3=C(O[Si](C)(C)C)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15362.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #28C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O[Si](C)(C)C)C(O)=C(O)C(C3=C(O)C(O[Si](C)(C)C)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15352.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #29C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O[Si](C)(C)C)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O[Si](C)(C)C)=C5)OC(=O)C3=C46)=C2C(=O)O15419.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #3C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C1=CC2=C(O[Si](C)(C)C)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15423.5Semi standard non polar33892256
Castacrenin C,3TMS,isomer #30C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O[Si](C)(C)C)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O[Si](C)(C)C)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15377.5Semi standard non polar33892256
Castacrenin C,3TMS,isomer #31C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15381.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #32C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O[Si](C)(C)C)=C(O)C(C3=C(O[Si](C)(C)C)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15340.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #33C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O[Si](C)(C)C)=C(O)C(C3=C(O)C(O[Si](C)(C)C)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15329.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #34C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O[Si](C)(C)C)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O[Si](C)(C)C)=C5)OC(=O)C3=C46)=C2C(=O)O15373.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #35C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O[Si](C)(C)C)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O[Si](C)(C)C)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15345.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #36C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O[Si](C)(C)C)C(C3=C(O[Si](C)(C)C)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15367.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #37C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O[Si](C)(C)C)C(C3=C(O)C(O[Si](C)(C)C)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15359.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #38C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O[Si](C)(C)C)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O[Si](C)(C)C)=C5)OC(=O)C3=C46)=C2C(=O)O15415.5Semi standard non polar33892256
Castacrenin C,3TMS,isomer #39C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O[Si](C)(C)C)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O[Si](C)(C)C)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15373.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #4C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C1=CC2=C(O)C(O[Si](C)(C)C)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15383.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #40C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15437.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #41C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O[Si](C)(C)C)C(O)=C4OC(=O)C5=C6C(=C(O)C(O[Si](C)(C)C)=C5)OC(=O)C3=C46)=C2C(=O)O15404.9Semi standard non polar33892256
Castacrenin C,3TMS,isomer #42C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O[Si](C)(C)C)C(O)=C4OC(=O)C5=C6C(=C(O[Si](C)(C)C)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15369.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #43C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O[Si](C)(C)C)=C4OC(=O)C5=C6C(=C(O)C(O[Si](C)(C)C)=C5)OC(=O)C3=C46)=C2C(=O)O15393.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #44C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O[Si](C)(C)C)=C4OC(=O)C5=C6C(=C(O[Si](C)(C)C)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15358.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #45C[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC(=O)C3=C46)=C2C(=O)O15476.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #46C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15533.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #47C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)OC2=O5412.5Semi standard non polar33892256
Castacrenin C,3TMS,isomer #48C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC2=C1O5373.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #49C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245417.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #5C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C1=CC2=C(O)C(O)=C(O[Si](C)(C)C)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15431.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #50C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25430.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #51C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C(O)C3=C2C(=O)OC(C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=C3)=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC1=C245412.5Semi standard non polar33892256
Castacrenin C,3TMS,isomer #52C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=C5)C(O)=C(O)C(=C13)OC2=O5469.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #53C[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=C6)C(O)=C3O)C(=O)OC1=C245425.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #54C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)OC2=O5408.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #55C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)=CC2=C1O5394.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #56C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245436.9Semi standard non polar33892256
Castacrenin C,3TMS,isomer #57C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25451.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #58C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C(O)C3=C2C(=O)OC(C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)=C3)=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC1=C245438.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #59C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)=C5)C(O)=C(O)C(=C13)OC2=O5487.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #6C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O[Si](C)(C)C)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15443.2Semi standard non polar33892256
Castacrenin C,3TMS,isomer #60C[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)=C6)C(O)=C3O)C(=O)OC1=C245442.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #61C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=CC2=C1O[Si](C)(C)C5394.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #62C[Si](C)(C)OC1=C(O)C(O[Si](C)(C)C)=C2C=C(C(O)C(O)C(CO)O[Si](C)(C)C)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245417.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #63C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O[Si](C)(C)C)C4=C1C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25390.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #64C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O[Si](C)(C)C)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O)C(CO)O[Si](C)(C)C)OC2=O5381.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #65C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O[Si](C)(C)C)C5=C4C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=C5)C(O)=C(O)C(=C13)OC2=O5438.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #66C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O)C(CO)O[Si](C)(C)C)OC2=O5402.2Semi standard non polar33892256
Castacrenin C,3TMS,isomer #67C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=CC2=C1O5391.5Semi standard non polar33892256
Castacrenin C,3TMS,isomer #68C[Si](C)(C)OC1=C(O)C(C2=C(O[Si](C)(C)C)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=CC2=C1O5367.9Semi standard non polar33892256
Castacrenin C,3TMS,isomer #69C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O[Si](C)(C)C)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=CC2=C1O5356.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #7C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O[Si](C)(C)C)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15428.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #70C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O[Si](C)(C)C)=C(O)C5=C4C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=C5)C(O)=C(O)C(=C13)OC2=O5392.0Semi standard non polar33892256
Castacrenin C,3TMS,isomer #71C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=CC2=C1O5372.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #72C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(CO)O[Si](C)(C)C)OC(=O)C2=C1C1=C(O[Si](C)(C)C)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245376.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #73C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(CO)O[Si](C)(C)C)OC(=O)C2=C1C1=C(O)C(O[Si](C)(C)C)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245369.8Semi standard non polar33892256
Castacrenin C,3TMS,isomer #74C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O[Si](C)(C)C)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=C5)C(O)=C(O)C(=C13)OC2=O5422.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #75C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(CO)O[Si](C)(C)C)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O[Si](C)(C)C)C(O)=C3)OC(=O)C1=C245385.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #76C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25435.2Semi standard non polar33892256
Castacrenin C,3TMS,isomer #77C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)=C(O)C(=C13)OC2=O5413.7Semi standard non polar33892256
Castacrenin C,3TMS,isomer #78C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=C4)C(=O)OC1=C(O[Si](C)(C)C)C(O)=CC(=C13)C(=O)O25377.2Semi standard non polar33892256
Castacrenin C,3TMS,isomer #79C[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=C6)C(O)=C3O[Si](C)(C)C)C(=O)OC1=C245367.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #8C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O[Si](C)(C)C)=C5)OC(=O)C3=C46)=C2C(=O)O15471.1Semi standard non polar33892256
Castacrenin C,3TMS,isomer #80C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=C5)C(O)=C(O[Si](C)(C)C)C(=C13)OC2=O5404.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #81C[Si](C)(C)OC1=CC2=C3C(=C1O[Si](C)(C)C)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C)=C5)C(O)=C(O)C(=C13)OC2=O5480.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #82C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)OC2=O5486.2Semi standard non polar33892256
Castacrenin C,3TMS,isomer #83C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)=CC2=C1O5458.9Semi standard non polar33892256
Castacrenin C,3TMS,isomer #84C[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245519.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #85C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25531.2Semi standard non polar33892256
Castacrenin C,3TMS,isomer #86C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C(O)C3=C2C(=O)OC(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)=C3)=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC1=C245520.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #87C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5557.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #88C[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)=C6)C(O)=C3O)C(=O)OC1=C245524.9Semi standard non polar33892256
Castacrenin C,3TMS,isomer #89C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=CC2=C1O[Si](C)(C)C5391.5Semi standard non polar33892256
Castacrenin C,3TMS,isomer #9C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O[Si](C)(C)C)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15442.2Semi standard non polar33892256
Castacrenin C,3TMS,isomer #90C[Si](C)(C)OC1=C(O)C(O[Si](C)(C)C)=C2C=C(C(O)C(O[Si](C)(C)C)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C245417.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #91C[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O[Si](C)(C)C)C4=C1C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O25385.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #92C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O[Si](C)(C)C)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O[Si](C)(C)C)C(O)CO)OC2=O5375.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #93C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O[Si](C)(C)C)C5=C4C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5434.6Semi standard non polar33892256
Castacrenin C,3TMS,isomer #94C[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O[Si](C)(C)C)C(O)CO)OC2=O5392.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #95C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=CC2=C1O5389.5Semi standard non polar33892256
Castacrenin C,3TMS,isomer #96C[Si](C)(C)OC1=C(O)C(C2=C(O[Si](C)(C)C)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=CC2=C1O5366.4Semi standard non polar33892256
Castacrenin C,3TMS,isomer #97C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O[Si](C)(C)C)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=CC2=C1O5351.9Semi standard non polar33892256
Castacrenin C,3TMS,isomer #98C[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O[Si](C)(C)C)=C(O)C5=C4C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O5388.3Semi standard non polar33892256
Castacrenin C,3TMS,isomer #99C[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O[Si](C)(C)C)C(O)CO)=CC2=C1O5364.9Semi standard non polar33892256
Castacrenin C,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O16025.2Semi standard non polar33892256
Castacrenin C,1TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C(O)C3=C2C(=O)OC(C(O)C(O)C(O)CO)=C3)=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC1=C246025.9Semi standard non polar33892256
Castacrenin C,1TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O26022.2Semi standard non polar33892256
Castacrenin C,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O16065.0Semi standard non polar33892256
Castacrenin C,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O16080.9Semi standard non polar33892256
Castacrenin C,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O1)C(O)C(O)CO6143.3Semi standard non polar33892256
Castacrenin C,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C246030.7Semi standard non polar33892256
Castacrenin C,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O6009.8Semi standard non polar33892256
Castacrenin C,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O)C(O)CO)OC2=O6023.7Semi standard non polar33892256
Castacrenin C,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O6074.3Semi standard non polar33892256
Castacrenin C,1TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O)C(O)C(O)CO)=C6)C(O)=C3O)C(=O)OC1=C246023.5Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O16102.9Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O[Si](C)(C)C(C)(C)C)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O16024.9Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O16127.6Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O16164.5Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C)OC2=O6041.2Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C)=CC2=C1O5997.4Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C246045.9Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O26027.0Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C(O)C3=C2C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C)=C3)=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC1=C246034.9Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C)=C5)C(O)=C(O)C(=C13)OC2=O6058.6Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C)=C6)C(O)=C3O)C(=O)OC1=C246034.0Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O16069.9Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O1)C(O[Si](C)(C)C(C)(C)C)C(O)CO6198.9Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)OC2=O6042.3Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)=CC2=C1O6002.5Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C246051.7Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O26035.7Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C(O)C3=C2C(=O)OC(C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)=C3)=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC1=C246044.3Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O6065.1Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)=C6)C(O)=C3O)C(=O)OC1=C246039.0Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO)OC2=O6121.0Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO)=CC2=C1O6091.0Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O16112.0Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C246144.7Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O26126.2Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C(O)C3=C2C(=O)OC(C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO)=C3)=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC1=C246133.6Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O6149.8Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO)=C6)C(O)=C3O)C(=O)OC1=C246128.6Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O6094.2Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC1=C(O)C(O[Si](C)(C)C(C)(C)C)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C246111.9Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O[Si](C)(C)C(C)(C)C)C(O)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C246074.4Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O[Si](C)(C)C(C)(C)C)=C2OC(=O)C3=C4C(=C(O)C(O)=C3)OC(=O)C1=C246076.8Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O[Si](C)(C)C(C)(C)C)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O6087.6Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O[Si](C)(C)C(C)(C)C)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O16028.0Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=C2C=C(C(O)C(O)C(O)CO)OC(=O)C2=C1C1=C(O)C(O)=C2OC(=O)C3=C4C(=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC(=O)C1=C246067.8Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC1=C(O)C(C2=C(O[Si](C)(C)C(C)(C)C)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O6022.6Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC1=C(O)C(C2=C(O)C(O[Si](C)(C)C(C)(C)C)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O6026.9Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O[Si](C)(C)C(C)(C)C)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O6033.6Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O6020.8Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC1=C(O)C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)=C2C(=O)OC(C(O)C(O)C(O)CO)=CC2=C1O[Si](C)(C)C(C)(C)C6069.4Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #46CC(C)(C)[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O[Si](C)(C)C(C)(C)C)C4=C1C(=O)OC(C(O)C(O)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O26058.6Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #47CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O[Si](C)(C)C(C)(C)C)=C3OC(=O)C4=C5C(=C(O)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O)C(O)CO)OC2=O6064.8Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O[Si](C)(C)C(C)(C)C)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O6076.7Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #49CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=C(C2=C(O)C(O)=C3OC(=O)C4=C5C(=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC(=O)C2=C35)C2=C1C=C(C(O)C(O)C(O)CO)OC2=O6057.9Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O[Si](C)(C)C(C)(C)C)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O15983.9Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #50CC(C)(C)[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O[Si](C)(C)C(C)(C)C)C(=C13)OC2=O6077.0Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #51CC(C)(C)[Si](C)(C)OC1=CC2=C3C(=C1O)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O[Si](C)(C)C(C)(C)C)=C(O)C(=C13)OC2=O6073.8Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #52CC(C)(C)[Si](C)(C)OC1=CC2=C3C(=C1O[Si](C)(C)C(C)(C)C)OC(=O)C1=C(C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C(O)C(O)C(O)CO)=C5)C(O)=C(O)C(=C13)OC2=O6099.1Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #53CC(C)(C)[Si](C)(C)OC1=C(O)C=C2C(=O)OC3=C4C(=C(C5=C(O)C(O)=C(O)C6=C5C(=O)OC(C(O)C(O)C(O)CO)=C6)C(O)=C3O[Si](C)(C)C(C)(C)C)C(=O)OC1=C246060.9Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #54CC(C)(C)[Si](C)(C)OC1=C(O)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O)C(O)CO)=C4)C(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C(O)=CC(=C13)C(=O)O26054.9Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #55CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C3C(=C1C1=C(O)C(O)=C(O)C4=C1C(=O)OC(C(O)C(O)C(O)CO)=C4)C(=O)OC1=C(O)C(O)=CC(=C13)C(=O)O26123.0Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O[Si](C)(C)C(C)(C)C)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O16039.9Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O16017.3Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C4OC(=O)C5=C6C(=C(O)C(O)=C5)OC(=O)C3=C46)=C2C(=O)O16024.3Semi standard non polar33892256
Castacrenin C,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C1=CC2=C(O)C(O)=C(O)C(C3=C(O)C(O)=C4OC(=O)C5=C6C(=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)OC(=O)C3=C46)=C2C(=O)O16045.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (Non-derivatized) - 70eV, Positivesplash10-00di-4000090000-a8bf905f62d2448b08772017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (1 TMS) - 70eV, Positivesplash10-00di-3400094000-371c0b36ad10a97033ca2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_1_9) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_1_10) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_1_11) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Castacrenin C GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Castacrenin C 10V, Positive-QTOFsplash10-014j-4000097000-cd3afe5688739274afa62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Castacrenin C 20V, Positive-QTOFsplash10-03kc-9000260000-bbc77d8f1614f04197652016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Castacrenin C 40V, Positive-QTOFsplash10-08gj-9000330000-a55a578e4bc6c15a832d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Castacrenin C 10V, Negative-QTOFsplash10-11vu-5000191000-53306f2fd86137a8c8b62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Castacrenin C 20V, Negative-QTOFsplash10-074u-9010250000-521ae6c35818aae8f1c72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Castacrenin C 40V, Negative-QTOFsplash10-0a4i-9100220000-a751a824adb8f7ab2e6c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Castacrenin C 10V, Negative-QTOFsplash10-0f79-0000090000-b7446e0497a0120910ee2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Castacrenin C 20V, Negative-QTOFsplash10-0pkc-0000290000-55c8cd084fb793d2fc7b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Castacrenin C 40V, Negative-QTOFsplash10-0006-2000930000-e1c58b8b97f3c70eafa32021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Castacrenin C 10V, Positive-QTOFsplash10-00mk-0000091000-4ea07a20fa2dfe26e4d62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Castacrenin C 20V, Positive-QTOFsplash10-0292-0000193000-e95a478a6ebaae95cbf72021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Castacrenin C 40V, Positive-QTOFsplash10-0097-9100670000-ec8d6461d964e59bed502021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB002537
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound85228592
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

General function:
Involved in sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of many hormones, neurotransmitters, drugs and xenobiotic compounds. Sulfonation increases the water solubility of most compounds, and therefore their renal excretion, but it can also result in bioactivation to form active metabolites. Sulfates hydroxysteroids like DHEA. Isoform 1 preferentially sulfonates cholesterol, and isoform 2 avidly sulfonates pregnenolone but not cholesterol.
Gene Name:
SULT2B1
Uniprot ID:
O00204
Molecular weight:
39598.595
Reactions
Castacrenin C → [2,3,4-trihydroxy-4-(5,6,7-trihydroxy-1-oxo-8-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-5-yl}-1H-isochromen-3-yl)butoxy]sulfonic aciddetails
Castacrenin C → [2,3,4-trihydroxy-1-(5,6,7-trihydroxy-1-oxo-8-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-5-yl}-1H-isochromen-3-yl)butoxy]sulfonic aciddetails
Castacrenin C → {[1,3,4-trihydroxy-1-(5,6,7-trihydroxy-1-oxo-8-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-5-yl}-1H-isochromen-3-yl)butan-2-yl]oxy}sulfonic aciddetails
Castacrenin C → {[1,3,4-trihydroxy-4-(5,6,7-trihydroxy-1-oxo-8-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-5-yl}-1H-isochromen-3-yl)butan-2-yl]oxy}sulfonic aciddetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
Castacrenin C → 3,4,5-trihydroxy-6-({7,13,14-trihydroxy-3,10-dioxo-5-[5,6,7-trihydroxy-1-oxo-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-8-yl]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl}oxy)oxane-2-carboxylic aciddetails
Castacrenin C → 3,4,5-trihydroxy-6-({6,13,14-trihydroxy-3,10-dioxo-5-[5,6,7-trihydroxy-1-oxo-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-8-yl]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-7-yl}oxy)oxane-2-carboxylic aciddetails
Castacrenin C → 3,4,5-trihydroxy-6-({6,13,14-trihydroxy-3,10-dioxo-12-[5,6,7-trihydroxy-1-oxo-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-8-yl]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-7-yl}oxy)oxane-2-carboxylic aciddetails
Castacrenin C → 3,4,5-trihydroxy-6-({7,13,14-trihydroxy-3,10-dioxo-12-[5,6,7-trihydroxy-1-oxo-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-8-yl]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl}oxy)oxane-2-carboxylic aciddetails
Castacrenin C → 6-[(6,7-dihydroxy-1-oxo-8-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-5-yl}-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Castacrenin C → 6-[(5,7-dihydroxy-1-oxo-8-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-5-yl}-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Castacrenin C → 6-[(5,6-dihydroxy-1-oxo-8-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-5-yl}-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic aciddetails