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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:37:33 UTC
Update Date2022-03-07 02:52:35 UTC
HMDB IDHMDB0030548
Secondary Accession Numbers
  • HMDB30548
Metabolite Identification
Common NameNepitrin
DescriptionNepitrin belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Nepitrin has been detected, but not quantified in, herbs and spices and rosemaries (Rosmarinus officinalis). This could make nepitrin a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Nepitrin.
Structure
Data?1563862002
Synonyms
ValueSource
5,3',4'-Trihydroxy-6-methoxyflavoneMeSH
6-Methoxy-luteolin 7-glucosideMeSH
6-Methoxyluteolin 7-glucosideMeSH
3',4',5-Trihydroxy-6-methoxy-7-(glucosyloxy)flavoneHMDB
6-Methoxyluteolin-7-glucosideHMDB
Eupafolin-7-glucosideHMDB
Eupatolin 7-glucosideHMDB
Nepetin 7-glucosideHMDB
NepitrinMeSH
Chemical FormulaC22H22O12
Average Molecular Weight478.4029
Monoisotopic Molecular Weight478.111126168
IUPAC Name2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Traditional Name2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
CAS Registry Number569-90-4
SMILES
COC1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI Identifier
InChI=1S/C22H22O12/c1-31-21-14(33-22-20(30)19(29)17(27)15(7-23)34-22)6-13-16(18(21)28)11(26)5-12(32-13)8-2-3-9(24)10(25)4-8/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1
InChI KeyDMXHXBGUNHLMQO-IWLDQSELSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-7-O-glycosides
Alternative Parents
Substituents
  • Flavonoid-7-o-glycoside
  • 6-methoxyflavonoid-skeleton
  • Hydroxyflavonoid
  • 3'-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • Flavone
  • Phenolic glycoside
  • Hexose monosaccharide
  • O-glycosyl compound
  • Glycosyl compound
  • Chromone
  • Benzopyran
  • 1-benzopyran
  • Anisole
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • Alkyl aryl ether
  • Phenol
  • Pyranone
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Oxane
  • Monosaccharide
  • Vinylogous acid
  • Heteroaromatic compound
  • Secondary alcohol
  • Ether
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Primary alcohol
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Source

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point252 - 256 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility7263 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1 g/LALOGPS
logP0.64ALOGPS
logP-0.023ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)8.55ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area195.6 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity113.5 m³·mol⁻¹ChemAxon
Polarizability46.06 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+207.15731661259
DarkChem[M-H]-204.2631661259
DeepCCS[M+H]+197.28530932474
DeepCCS[M-H]-195.39230932474
DeepCCS[M-2H]-228.63330932474
DeepCCS[M+Na]+203.02630932474
AllCCS[M+H]+209.032859911
AllCCS[M+H-H2O]+206.832859911
AllCCS[M+NH4]+211.032859911
AllCCS[M+Na]+211.632859911
AllCCS[M-H]-206.132859911
AllCCS[M+Na-2H]-206.832859911
AllCCS[M+HCOO]-207.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
NepitrinCOC1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O5628.5Standard polar33892256
NepitrinCOC1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O4279.3Standard non polar33892256
NepitrinCOC1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O4546.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Nepitrin,1TMS,isomer #1COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4400.8Semi standard non polar33892256
Nepitrin,1TMS,isomer #2COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4431.2Semi standard non polar33892256
Nepitrin,1TMS,isomer #3COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4466.3Semi standard non polar33892256
Nepitrin,1TMS,isomer #4COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4357.5Semi standard non polar33892256
Nepitrin,1TMS,isomer #5COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4360.7Semi standard non polar33892256
Nepitrin,1TMS,isomer #6COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4380.0Semi standard non polar33892256
Nepitrin,1TMS,isomer #7COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4387.8Semi standard non polar33892256
Nepitrin,2TMS,isomer #1COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4230.0Semi standard non polar33892256
Nepitrin,2TMS,isomer #10COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4259.6Semi standard non polar33892256
Nepitrin,2TMS,isomer #11COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4297.4Semi standard non polar33892256
Nepitrin,2TMS,isomer #12COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4253.2Semi standard non polar33892256
Nepitrin,2TMS,isomer #13COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4267.5Semi standard non polar33892256
Nepitrin,2TMS,isomer #14COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4290.6Semi standard non polar33892256
Nepitrin,2TMS,isomer #15COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4280.4Semi standard non polar33892256
Nepitrin,2TMS,isomer #16COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4228.3Semi standard non polar33892256
Nepitrin,2TMS,isomer #17COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4207.8Semi standard non polar33892256
Nepitrin,2TMS,isomer #18COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4221.9Semi standard non polar33892256
Nepitrin,2TMS,isomer #19COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4222.8Semi standard non polar33892256
Nepitrin,2TMS,isomer #2COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4253.2Semi standard non polar33892256
Nepitrin,2TMS,isomer #20COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4231.1Semi standard non polar33892256
Nepitrin,2TMS,isomer #21COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4247.8Semi standard non polar33892256
Nepitrin,2TMS,isomer #3COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4256.5Semi standard non polar33892256
Nepitrin,2TMS,isomer #4COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4272.2Semi standard non polar33892256
Nepitrin,2TMS,isomer #5COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4338.3Semi standard non polar33892256
Nepitrin,2TMS,isomer #6COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4314.0Semi standard non polar33892256
Nepitrin,2TMS,isomer #7COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4225.1Semi standard non polar33892256
Nepitrin,2TMS,isomer #8COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4247.7Semi standard non polar33892256
Nepitrin,2TMS,isomer #9COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4262.7Semi standard non polar33892256
Nepitrin,3TMS,isomer #1COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4167.2Semi standard non polar33892256
Nepitrin,3TMS,isomer #10COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4173.2Semi standard non polar33892256
Nepitrin,3TMS,isomer #11COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4196.0Semi standard non polar33892256
Nepitrin,3TMS,isomer #12COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4174.0Semi standard non polar33892256
Nepitrin,3TMS,isomer #13COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4192.4Semi standard non polar33892256
Nepitrin,3TMS,isomer #14COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4174.7Semi standard non polar33892256
Nepitrin,3TMS,isomer #15COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4215.3Semi standard non polar33892256
Nepitrin,3TMS,isomer #16COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4123.3Semi standard non polar33892256
Nepitrin,3TMS,isomer #17COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4104.5Semi standard non polar33892256
Nepitrin,3TMS,isomer #18COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4115.6Semi standard non polar33892256
Nepitrin,3TMS,isomer #19COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4137.4Semi standard non polar33892256
Nepitrin,3TMS,isomer #2COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4133.2Semi standard non polar33892256
Nepitrin,3TMS,isomer #20COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4131.4Semi standard non polar33892256
Nepitrin,3TMS,isomer #21COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4149.9Semi standard non polar33892256
Nepitrin,3TMS,isomer #22COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4176.6Semi standard non polar33892256
Nepitrin,3TMS,isomer #23COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4147.5Semi standard non polar33892256
Nepitrin,3TMS,isomer #24COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4191.4Semi standard non polar33892256
Nepitrin,3TMS,isomer #25COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4184.7Semi standard non polar33892256
Nepitrin,3TMS,isomer #26COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4152.3Semi standard non polar33892256
Nepitrin,3TMS,isomer #27COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4132.2Semi standard non polar33892256
Nepitrin,3TMS,isomer #28COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4140.1Semi standard non polar33892256
Nepitrin,3TMS,isomer #29COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4156.0Semi standard non polar33892256
Nepitrin,3TMS,isomer #3COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4166.3Semi standard non polar33892256
Nepitrin,3TMS,isomer #30COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4173.7Semi standard non polar33892256
Nepitrin,3TMS,isomer #31COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4169.5Semi standard non polar33892256
Nepitrin,3TMS,isomer #32COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4140.0Semi standard non polar33892256
Nepitrin,3TMS,isomer #33COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4161.4Semi standard non polar33892256
Nepitrin,3TMS,isomer #34COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4133.9Semi standard non polar33892256
Nepitrin,3TMS,isomer #35COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4135.8Semi standard non polar33892256
Nepitrin,3TMS,isomer #4COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4168.8Semi standard non polar33892256
Nepitrin,3TMS,isomer #5COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4151.6Semi standard non polar33892256
Nepitrin,3TMS,isomer #6COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4146.3Semi standard non polar33892256
Nepitrin,3TMS,isomer #7COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4152.8Semi standard non polar33892256
Nepitrin,3TMS,isomer #8COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4183.2Semi standard non polar33892256
Nepitrin,3TMS,isomer #9COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4163.3Semi standard non polar33892256
Nepitrin,4TMS,isomer #1COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4098.9Semi standard non polar33892256
Nepitrin,4TMS,isomer #10COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4102.0Semi standard non polar33892256
Nepitrin,4TMS,isomer #11COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4100.7Semi standard non polar33892256
Nepitrin,4TMS,isomer #12COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4105.8Semi standard non polar33892256
Nepitrin,4TMS,isomer #13COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4094.3Semi standard non polar33892256
Nepitrin,4TMS,isomer #14COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4106.8Semi standard non polar33892256
Nepitrin,4TMS,isomer #15COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4089.0Semi standard non polar33892256
Nepitrin,4TMS,isomer #16COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4118.0Semi standard non polar33892256
Nepitrin,4TMS,isomer #17COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4113.2Semi standard non polar33892256
Nepitrin,4TMS,isomer #18COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4103.4Semi standard non polar33892256
Nepitrin,4TMS,isomer #19COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4125.4Semi standard non polar33892256
Nepitrin,4TMS,isomer #2COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4110.3Semi standard non polar33892256
Nepitrin,4TMS,isomer #20COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4124.4Semi standard non polar33892256
Nepitrin,4TMS,isomer #21COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4075.8Semi standard non polar33892256
Nepitrin,4TMS,isomer #22COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4085.3Semi standard non polar33892256
Nepitrin,4TMS,isomer #23COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4085.7Semi standard non polar33892256
Nepitrin,4TMS,isomer #24COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4063.6Semi standard non polar33892256
Nepitrin,4TMS,isomer #25COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4068.3Semi standard non polar33892256
Nepitrin,4TMS,isomer #26COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4081.4Semi standard non polar33892256
Nepitrin,4TMS,isomer #27COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4089.9Semi standard non polar33892256
Nepitrin,4TMS,isomer #28COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4099.5Semi standard non polar33892256
Nepitrin,4TMS,isomer #29COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4094.4Semi standard non polar33892256
Nepitrin,4TMS,isomer #3COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4099.4Semi standard non polar33892256
Nepitrin,4TMS,isomer #30COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4113.1Semi standard non polar33892256
Nepitrin,4TMS,isomer #31COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4092.3Semi standard non polar33892256
Nepitrin,4TMS,isomer #32COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4107.2Semi standard non polar33892256
Nepitrin,4TMS,isomer #33COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4080.0Semi standard non polar33892256
Nepitrin,4TMS,isomer #34COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4099.6Semi standard non polar33892256
Nepitrin,4TMS,isomer #35COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4131.2Semi standard non polar33892256
Nepitrin,4TMS,isomer #4COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4082.0Semi standard non polar33892256
Nepitrin,4TMS,isomer #5COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4087.8Semi standard non polar33892256
Nepitrin,4TMS,isomer #6COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4080.6Semi standard non polar33892256
Nepitrin,4TMS,isomer #7COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4062.3Semi standard non polar33892256
Nepitrin,4TMS,isomer #8COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4094.5Semi standard non polar33892256
Nepitrin,4TMS,isomer #9COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4078.9Semi standard non polar33892256
Nepitrin,5TMS,isomer #1COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4079.8Semi standard non polar33892256
Nepitrin,5TMS,isomer #10COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4057.8Semi standard non polar33892256
Nepitrin,5TMS,isomer #11COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4069.2Semi standard non polar33892256
Nepitrin,5TMS,isomer #12COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4060.8Semi standard non polar33892256
Nepitrin,5TMS,isomer #13COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4072.4Semi standard non polar33892256
Nepitrin,5TMS,isomer #14COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4060.9Semi standard non polar33892256
Nepitrin,5TMS,isomer #15COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4078.8Semi standard non polar33892256
Nepitrin,5TMS,isomer #16COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4071.0Semi standard non polar33892256
Nepitrin,5TMS,isomer #17COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4060.7Semi standard non polar33892256
Nepitrin,5TMS,isomer #18COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4069.3Semi standard non polar33892256
Nepitrin,5TMS,isomer #19COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4046.6Semi standard non polar33892256
Nepitrin,5TMS,isomer #2COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4066.5Semi standard non polar33892256
Nepitrin,5TMS,isomer #20COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O4069.7Semi standard non polar33892256
Nepitrin,5TMS,isomer #21COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O4086.9Semi standard non polar33892256
Nepitrin,5TMS,isomer #3COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4053.2Semi standard non polar33892256
Nepitrin,5TMS,isomer #4COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4057.1Semi standard non polar33892256
Nepitrin,5TMS,isomer #5COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4041.7Semi standard non polar33892256
Nepitrin,5TMS,isomer #6COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4060.6Semi standard non polar33892256
Nepitrin,5TMS,isomer #7COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C4051.8Semi standard non polar33892256
Nepitrin,5TMS,isomer #8COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4040.6Semi standard non polar33892256
Nepitrin,5TMS,isomer #9COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C4039.5Semi standard non polar33892256
Nepitrin,1TBDMS,isomer #1COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4680.9Semi standard non polar33892256
Nepitrin,1TBDMS,isomer #2COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4653.3Semi standard non polar33892256
Nepitrin,1TBDMS,isomer #3COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O4696.3Semi standard non polar33892256
Nepitrin,1TBDMS,isomer #4COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4627.9Semi standard non polar33892256
Nepitrin,1TBDMS,isomer #5COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4614.7Semi standard non polar33892256
Nepitrin,1TBDMS,isomer #6COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4628.1Semi standard non polar33892256
Nepitrin,1TBDMS,isomer #7COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4630.6Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #1COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4735.9Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #10COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4747.7Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #11COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4757.4Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #12COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O4784.5Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #13COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O4780.1Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #14COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O4797.9Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #15COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O4786.1Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #16COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4698.4Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #17COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4684.3Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #18COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4703.4Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #19COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4683.7Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #2COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4739.8Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #20COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4694.2Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #21COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4708.8Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #3COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4736.0Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #4COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4748.5Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #5COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4837.9Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #6COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4788.8Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #7COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4733.1Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #8COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4740.4Semi standard non polar33892256
Nepitrin,2TBDMS,isomer #9COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4757.0Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #1COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4809.6Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #10COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4834.6Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #11COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4941.1Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #12COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4889.8Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #13COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4937.2Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #14COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4889.8Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #15COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4919.4Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #16COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4855.2Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #17COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4860.5Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #18COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4867.8Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #19COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4878.6Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #2COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4788.7Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #20COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4864.9Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #21COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4878.0Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #22COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4888.6Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #23COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4884.3Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #24COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4892.7Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #25COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O4896.1Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #26COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O4903.1Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #27COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O4910.4Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #28COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O4913.7Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #29COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O4907.2Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #3COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4820.0Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #30COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O4923.0Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #31COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O4926.6Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #32COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4796.5Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #33COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4795.8Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #34COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4794.3Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #35COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O4812.7Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #4COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4922.7Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #5COC1=C(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4870.0Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #6COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4807.1Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #7COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4813.9Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #8COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4929.8Semi standard non polar33892256
Nepitrin,3TBDMS,isomer #9COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C2=C1O[Si](C)(C)C(C)(C)C4883.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Nepitrin GC-MS (Non-derivatized) - 70eV, Positivesplash10-08mi-9303700000-f9574a35f849db5c12c72017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Nepitrin GC-MS (3 TMS) - 70eV, Positivesplash10-057i-3331019000-38b2cafd26dd84df6bc22017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Nepitrin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nepitrin 10V, Positive-QTOFsplash10-016r-0139800000-7381f32c2b8ee1a69f172016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nepitrin 20V, Positive-QTOFsplash10-014i-0159100000-979d75d706753b47e3692016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nepitrin 40V, Positive-QTOFsplash10-0ktb-2497000000-991fd2ec43cf5a239cc82016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nepitrin 10V, Negative-QTOFsplash10-00or-2305900000-999ea13afeedb13c8e402016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nepitrin 20V, Negative-QTOFsplash10-014j-2279300000-3724520d9cb4bc0f4b8b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nepitrin 40V, Negative-QTOFsplash10-01bd-4192000000-8c921c243c884d46107c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nepitrin 10V, Positive-QTOFsplash10-016r-0009400000-f9e020672b78a8b5d2f72021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nepitrin 20V, Positive-QTOFsplash10-014i-0009100000-6d263fc476cff759693e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nepitrin 40V, Positive-QTOFsplash10-014i-0009000000-d4d9bcf99cd318117dc62021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nepitrin 10V, Negative-QTOFsplash10-004i-0000900000-9b72f8c346f02232b7382021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nepitrin 20V, Negative-QTOFsplash10-004i-0005900000-560bf2b0d639545ffeb42021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nepitrin 40V, Negative-QTOFsplash10-014i-0009100000-a0e7174b3d26a8851a402021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart 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 IDFDB002423
KNApSAcK IDC00004400
Chemspider ID107783
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound120742
PDB IDNot Available
ChEBI ID581221
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1820921
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Agarwal OP: The anti-inflammatory action of nepitrin, a flavonoid. Agents Actions. 1982 Jul;12(3):298-302. [PubMed:6982607 ]
  2. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .