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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 20:10:15 UTC
Update Date2022-03-07 02:54:24 UTC
HMDB IDHMDB0035219
Secondary Accession Numbers
  • HMDB35219
Metabolite Identification
Common NameAloin
DescriptionAloin is a constituent of various Aloe species Aloin extracted from natural sources is a mixture of two diastereomers, termed aloin A (also called barbaloin) and aloin B (or isobarbaloin), which have similar chemical properties. Aloin is an anthraquinone glycoside, meaning that its anthraquinone skeleton has been modified by the addition of a sugar molecule. Anthraquinones are a common family of naturally occurring yellow, orange, and red pigments of which many have cathartic properties, attributes shared by aloin. Aloin is related to aloe emodin, which lacks a sugar group but shares aloin's biological properties. Aloin, also known as Barbaloin [Reynolds, Aloes - The genus Aloe, 2004], is a bitter, yellow-brown colored compound noted in the exudate of at least 68 Aloe species at levels from 0.1 to 6.6% of leaf dry weight (making between 3% and 35% of the toal exudate) (Groom & Reynolds, 1987), and in another 17 species at indeterminate levels [Reynolds, 1995b]. It is used as a stimulant-laxative, treating constipation by inducing bowel movements. The compound is present in what is commonly referred to as the aloe latex that exudes from cells adjacent to the vascular bundles, found under the rind of the leaf and in between it and the gel. When dried, it has been used as a bittering agent in commerce (alcoholic beverages) [21 CFR 172.510. Scientific names given include Aloe perryi, A. barbadensis (= A. vera), A. ferox, and hybrids of A. ferox with A. africana and A. spicata.]. Aloe is listed in federal regulations as a natural substance that may be safely used in food when used in the minimum quantity required to produce their intended physical or technical effect and in accordance with all the principles of good manufacturing practice. This food application is generally limited to use in quite small quantities as a flavoring in alcoholic beverages and may usually be identified only as a natural flavor. ; In May 2002, the U.S. Aloin is a food and Drug Administration (FDA) issued a ruling that aloe laxatives are no longer generally recognized as safe (GRAS) and effective, meaning that aloin-containing products are no longer available in over-the-counter drug products in the United States. Aloe vera leaf latex is a concentrate of an herb or other botanical, and so meets the statutory description of an ingredient that may be used in dietary supplements
Structure
Data?1563862684
Synonyms
ValueSource
10-(1',5'-Anhydroglucosyl)aloe-emodin-9-anthroneHMDB
10-b-D-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone, 9ciHMDB
Aloin aHMDB
AloinumHMDB
BarbaloinHMDB
CafaloinHMDB
JafaloinHMDB
SocaloinHMDB
UgandaloinHMDB
Aloin bHMDB
AlloinHMDB
AloinMeSH, HMDB
Chemical FormulaC21H22O9
Average Molecular Weight418.394
Monoisotopic Molecular Weight418.126382302
IUPAC Name1,8-dihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one
Traditional Namealoin
CAS Registry Number8015-61-0
SMILES
OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(CO)C=C2O
InChI Identifier
InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2
InChI KeyAFHJQYHRLPMKHU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
KingdomOrganic compounds
Super ClassBenzenoids
ClassAnthracenes
Sub ClassNot Available
Direct ParentAnthracenes
Alternative Parents
Substituents
  • Anthracene
  • Hexose monosaccharide
  • C-glycosyl compound
  • Glycosyl compound
  • Aryl ketone
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monosaccharide
  • Oxane
  • Vinylogous acid
  • Ketone
  • Secondary alcohol
  • Dialkyl ether
  • Ether
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organic oxide
  • Aromatic alcohol
  • Organooxygen compound
  • Primary alcohol
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point148 °C; 70 - 80 °C (monohydrate)Not Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.63 g/LALOGPS
logP-0.49ALOGPS
logP0.41ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)9.51ChemAxon
pKa (Strongest Basic)-2.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area167.91 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity103.79 m³·mol⁻¹ChemAxon
Polarizability40.8 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
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]+194.86931661259
DarkChem[M-H]-191.1531661259
DeepCCS[M+H]+190.79830932474
DeepCCS[M-H]-188.4430932474
DeepCCS[M-2H]-222.14630932474
DeepCCS[M+Na]+197.33730932474
AllCCS[M+H]+197.732859911
AllCCS[M+H-H2O]+195.232859911
AllCCS[M+NH4]+200.032859911
AllCCS[M+Na]+200.732859911
AllCCS[M-H]-196.232859911
AllCCS[M+Na-2H]-196.432859911
AllCCS[M+HCOO]-196.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
AloinOCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(CO)C=C2O4313.5Standard polar33892256
AloinOCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(CO)C=C2O3468.5Standard non polar33892256
AloinOCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(CO)C=C2O3968.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Aloin,1TMS,isomer #1C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O)C(O)C1O3825.2Semi standard non polar33892256
Aloin,1TMS,isomer #2C[Si](C)(C)OC1C(O)C(O)C(CO)OC1C1C2=CC=CC(O)=C2C(=O)C2=C(O)C=C(CO)C=C213774.8Semi standard non polar33892256
Aloin,1TMS,isomer #3C[Si](C)(C)OC1C(O)C(CO)OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C1O3779.6Semi standard non polar33892256
Aloin,1TMS,isomer #4C[Si](C)(C)OC1C(CO)OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O)C1O3784.4Semi standard non polar33892256
Aloin,1TMS,isomer #5C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O3857.9Semi standard non polar33892256
Aloin,1TMS,isomer #6C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C13842.6Semi standard non polar33892256
Aloin,1TMS,isomer #7C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O)C(O)C1O3811.3Semi standard non polar33892256
Aloin,2TMS,isomer #1C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=CC=C32)C(O)C(O)C1O3743.7Semi standard non polar33892256
Aloin,2TMS,isomer #10C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C3654.2Semi standard non polar33892256
Aloin,2TMS,isomer #11C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C13674.2Semi standard non polar33892256
Aloin,2TMS,isomer #12C[Si](C)(C)OC1C(CO)OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O)C1O[Si](C)(C)C3666.4Semi standard non polar33892256
Aloin,2TMS,isomer #13C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O3708.9Semi standard non polar33892256
Aloin,2TMS,isomer #14C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O3654.8Semi standard non polar33892256
Aloin,2TMS,isomer #15C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C13664.4Semi standard non polar33892256
Aloin,2TMS,isomer #16C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O3720.1Semi standard non polar33892256
Aloin,2TMS,isomer #17C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O3665.1Semi standard non polar33892256
Aloin,2TMS,isomer #18C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C13684.1Semi standard non polar33892256
Aloin,2TMS,isomer #19C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O3816.1Semi standard non polar33892256
Aloin,2TMS,isomer #2C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O)C(O)C1O3692.8Semi standard non polar33892256
Aloin,2TMS,isomer #20C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C13788.5Semi standard non polar33892256
Aloin,2TMS,isomer #21C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C13724.0Semi standard non polar33892256
Aloin,2TMS,isomer #3C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C13713.1Semi standard non polar33892256
Aloin,2TMS,isomer #4C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O[Si](C)(C)C)C(O)C1O3657.3Semi standard non polar33892256
Aloin,2TMS,isomer #5C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O)C(O[Si](C)(C)C)C1O3678.7Semi standard non polar33892256
Aloin,2TMS,isomer #6C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O)C(O)C1O[Si](C)(C)C3680.1Semi standard non polar33892256
Aloin,2TMS,isomer #7C[Si](C)(C)OC1C(O)C(CO)OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C1O[Si](C)(C)C3665.1Semi standard non polar33892256
Aloin,2TMS,isomer #8C[Si](C)(C)OC1C(CO)OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O[Si](C)(C)C)C1O3643.4Semi standard non polar33892256
Aloin,2TMS,isomer #9C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C3709.5Semi standard non polar33892256
Aloin,3TMS,isomer #1C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C13655.4Semi standard non polar33892256
Aloin,3TMS,isomer #10C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C13594.7Semi standard non polar33892256
Aloin,3TMS,isomer #11C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C13586.0Semi standard non polar33892256
Aloin,3TMS,isomer #12C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C13577.5Semi standard non polar33892256
Aloin,3TMS,isomer #13C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3597.2Semi standard non polar33892256
Aloin,3TMS,isomer #14C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3601.3Semi standard non polar33892256
Aloin,3TMS,isomer #15C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3609.3Semi standard non polar33892256
Aloin,3TMS,isomer #16C[Si](C)(C)OC1C(CO)OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O[Si](C)(C)C)C1O[Si](C)(C)C3626.1Semi standard non polar33892256
Aloin,3TMS,isomer #17C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3615.5Semi standard non polar33892256
Aloin,3TMS,isomer #18C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3579.4Semi standard non polar33892256
Aloin,3TMS,isomer #19C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13564.0Semi standard non polar33892256
Aloin,3TMS,isomer #2C[Si](C)(C)OCC1OC(C2C3=CC=CC(O[Si](C)(C)C)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O)C(O)C1O3689.8Semi standard non polar33892256
Aloin,3TMS,isomer #20C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3609.8Semi standard non polar33892256
Aloin,3TMS,isomer #21C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3574.8Semi standard non polar33892256
Aloin,3TMS,isomer #22C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C13581.8Semi standard non polar33892256
Aloin,3TMS,isomer #23C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C3674.1Semi standard non polar33892256
Aloin,3TMS,isomer #24C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C13623.6Semi standard non polar33892256
Aloin,3TMS,isomer #25C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C13576.7Semi standard non polar33892256
Aloin,3TMS,isomer #26C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3620.2Semi standard non polar33892256
Aloin,3TMS,isomer #27C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3589.0Semi standard non polar33892256
Aloin,3TMS,isomer #28C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C13576.1Semi standard non polar33892256
Aloin,3TMS,isomer #29C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O3644.6Semi standard non polar33892256
Aloin,3TMS,isomer #3C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=CC=C32)C(O[Si](C)(C)C)C(O)C1O3613.8Semi standard non polar33892256
Aloin,3TMS,isomer #30C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C13619.8Semi standard non polar33892256
Aloin,3TMS,isomer #31C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C13574.4Semi standard non polar33892256
Aloin,3TMS,isomer #32C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O3681.3Semi standard non polar33892256
Aloin,3TMS,isomer #33C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C13639.8Semi standard non polar33892256
Aloin,3TMS,isomer #34C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C13591.1Semi standard non polar33892256
Aloin,3TMS,isomer #35C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C13719.4Semi standard non polar33892256
Aloin,3TMS,isomer #4C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=CC=C32)C(O)C(O[Si](C)(C)C)C1O3620.3Semi standard non polar33892256
Aloin,3TMS,isomer #5C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=CC=C32)C(O)C(O)C1O[Si](C)(C)C3627.8Semi standard non polar33892256
Aloin,3TMS,isomer #6C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C13606.0Semi standard non polar33892256
Aloin,3TMS,isomer #7C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O[Si](C)(C)C)C(O)C1O3565.2Semi standard non polar33892256
Aloin,3TMS,isomer #8C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O)C(O[Si](C)(C)C)C1O3581.2Semi standard non polar33892256
Aloin,3TMS,isomer #9C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O)C(O)C1O[Si](C)(C)C3583.9Semi standard non polar33892256
Aloin,4TMS,isomer #1C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C13586.2Semi standard non polar33892256
Aloin,4TMS,isomer #10C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=CC=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3556.3Semi standard non polar33892256
Aloin,4TMS,isomer #11C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C13515.4Semi standard non polar33892256
Aloin,4TMS,isomer #12C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C13507.2Semi standard non polar33892256
Aloin,4TMS,isomer #13C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C13504.0Semi standard non polar33892256
Aloin,4TMS,isomer #14C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3521.5Semi standard non polar33892256
Aloin,4TMS,isomer #15C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3524.6Semi standard non polar33892256
Aloin,4TMS,isomer #16C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3533.1Semi standard non polar33892256
Aloin,4TMS,isomer #17C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C13508.1Semi standard non polar33892256
Aloin,4TMS,isomer #18C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C13486.6Semi standard non polar33892256
Aloin,4TMS,isomer #19C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13499.0Semi standard non polar33892256
Aloin,4TMS,isomer #2C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C13538.9Semi standard non polar33892256
Aloin,4TMS,isomer #20C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3557.1Semi standard non polar33892256
Aloin,4TMS,isomer #21C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3568.8Semi standard non polar33892256
Aloin,4TMS,isomer #22C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3552.0Semi standard non polar33892256
Aloin,4TMS,isomer #23C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13514.2Semi standard non polar33892256
Aloin,4TMS,isomer #24C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3567.9Semi standard non polar33892256
Aloin,4TMS,isomer #25C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13516.9Semi standard non polar33892256
Aloin,4TMS,isomer #26C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13494.1Semi standard non polar33892256
Aloin,4TMS,isomer #27C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3572.8Semi standard non polar33892256
Aloin,4TMS,isomer #28C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C13537.1Semi standard non polar33892256
Aloin,4TMS,isomer #29C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C13512.4Semi standard non polar33892256
Aloin,4TMS,isomer #3C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C13530.2Semi standard non polar33892256
Aloin,4TMS,isomer #30C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C13573.1Semi standard non polar33892256
Aloin,4TMS,isomer #31C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3574.1Semi standard non polar33892256
Aloin,4TMS,isomer #32C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C13524.3Semi standard non polar33892256
Aloin,4TMS,isomer #33C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C13502.3Semi standard non polar33892256
Aloin,4TMS,isomer #34C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C13558.6Semi standard non polar33892256
Aloin,4TMS,isomer #35C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C13580.5Semi standard non polar33892256
Aloin,4TMS,isomer #4C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C13526.1Semi standard non polar33892256
Aloin,4TMS,isomer #5C[Si](C)(C)OCC1OC(C2C3=CC=CC(O[Si](C)(C)C)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O[Si](C)(C)C)C(O)C1O3565.8Semi standard non polar33892256
Aloin,4TMS,isomer #6C[Si](C)(C)OCC1OC(C2C3=CC=CC(O[Si](C)(C)C)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O)C(O[Si](C)(C)C)C1O3576.8Semi standard non polar33892256
Aloin,4TMS,isomer #7C[Si](C)(C)OCC1OC(C2C3=CC=CC(O[Si](C)(C)C)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O)C(O)C1O[Si](C)(C)C3578.2Semi standard non polar33892256
Aloin,4TMS,isomer #8C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3547.1Semi standard non polar33892256
Aloin,4TMS,isomer #9C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=CC=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3550.5Semi standard non polar33892256
Aloin,5TMS,isomer #1C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C13504.8Semi standard non polar33892256
Aloin,5TMS,isomer #10C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3503.2Semi standard non polar33892256
Aloin,5TMS,isomer #11C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C13440.7Semi standard non polar33892256
Aloin,5TMS,isomer #12C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C13433.8Semi standard non polar33892256
Aloin,5TMS,isomer #13C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13442.1Semi standard non polar33892256
Aloin,5TMS,isomer #14C[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3479.4Semi standard non polar33892256
Aloin,5TMS,isomer #15C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13428.0Semi standard non polar33892256
Aloin,5TMS,isomer #16C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3540.7Semi standard non polar33892256
Aloin,5TMS,isomer #17C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13472.3Semi standard non polar33892256
Aloin,5TMS,isomer #18C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13441.5Semi standard non polar33892256
Aloin,5TMS,isomer #19C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13488.6Semi standard non polar33892256
Aloin,5TMS,isomer #2C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C13509.1Semi standard non polar33892256
Aloin,5TMS,isomer #20C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C13509.1Semi standard non polar33892256
Aloin,5TMS,isomer #21C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C13488.0Semi standard non polar33892256
Aloin,5TMS,isomer #3C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C13495.6Semi standard non polar33892256
Aloin,5TMS,isomer #4C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C13465.3Semi standard non polar33892256
Aloin,5TMS,isomer #5C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C13457.9Semi standard non polar33892256
Aloin,5TMS,isomer #6C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13467.6Semi standard non polar33892256
Aloin,5TMS,isomer #7C[Si](C)(C)OCC1OC(C2C3=CC=CC(O[Si](C)(C)C)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3515.8Semi standard non polar33892256
Aloin,5TMS,isomer #8C[Si](C)(C)OCC1OC(C2C3=CC=CC(O[Si](C)(C)C)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3517.4Semi standard non polar33892256
Aloin,5TMS,isomer #9C[Si](C)(C)OCC1OC(C2C3=CC=CC(O[Si](C)(C)C)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3515.8Semi standard non polar33892256
Aloin,6TMS,isomer #1C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C13462.3Semi standard non polar33892256
Aloin,6TMS,isomer #2C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C13463.0Semi standard non polar33892256
Aloin,6TMS,isomer #3C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13466.5Semi standard non polar33892256
Aloin,6TMS,isomer #4C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13429.7Semi standard non polar33892256
Aloin,6TMS,isomer #5C[Si](C)(C)OCC1OC(C2C3=CC=CC(O[Si](C)(C)C)=C3C(=O)C3=C(O[Si](C)(C)C)C=C(CO)C=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3466.7Semi standard non polar33892256
Aloin,6TMS,isomer #6C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13409.1Semi standard non polar33892256
Aloin,6TMS,isomer #7C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C13453.6Semi standard non polar33892256
Aloin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O)C(O)C1O4035.0Semi standard non polar33892256
Aloin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(CO)OC1C1C2=CC=CC(O)=C2C(=O)C2=C(O)C=C(CO)C=C214038.1Semi standard non polar33892256
Aloin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C1O4037.6Semi standard non polar33892256
Aloin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O)C1O4044.1Semi standard non polar33892256
Aloin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O4090.0Semi standard non polar33892256
Aloin,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C14067.5Semi standard non polar33892256
Aloin,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O)C(O)C1O4035.8Semi standard non polar33892256
Aloin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C32)C(O)C(O)C1O4199.6Semi standard non polar33892256
Aloin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4139.8Semi standard non polar33892256
Aloin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C14154.1Semi standard non polar33892256
Aloin,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O)C1O[Si](C)(C)C(C)(C)C4141.6Semi standard non polar33892256
Aloin,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4184.4Semi standard non polar33892256
Aloin,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4128.1Semi standard non polar33892256
Aloin,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C14149.8Semi standard non polar33892256
Aloin,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4199.9Semi standard non polar33892256
Aloin,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4138.6Semi standard non polar33892256
Aloin,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C14153.1Semi standard non polar33892256
Aloin,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O4272.8Semi standard non polar33892256
Aloin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C32)C(O)C(O)C1O4142.5Semi standard non polar33892256
Aloin,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C14253.4Semi standard non polar33892256
Aloin,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C14190.3Semi standard non polar33892256
Aloin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C14172.9Semi standard non polar33892256
Aloin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4128.7Semi standard non polar33892256
Aloin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4140.8Semi standard non polar33892256
Aloin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4142.5Semi standard non polar33892256
Aloin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C1O[Si](C)(C)C(C)(C)C4145.4Semi standard non polar33892256
Aloin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O[Si](C)(C)C(C)(C)C)C1O4137.3Semi standard non polar33892256
Aloin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4199.1Semi standard non polar33892256
Aloin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C14324.9Semi standard non polar33892256
Aloin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C14261.9Semi standard non polar33892256
Aloin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C14269.5Semi standard non polar33892256
Aloin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C14249.2Semi standard non polar33892256
Aloin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4252.4Semi standard non polar33892256
Aloin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4258.3Semi standard non polar33892256
Aloin,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4269.3Semi standard non polar33892256
Aloin,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4251.6Semi standard non polar33892256
Aloin,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4297.2Semi standard non polar33892256
Aloin,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4235.2Semi standard non polar33892256
Aloin,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2=C14250.6Semi standard non polar33892256
Aloin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C32)C(O)C(O)C1O4342.0Semi standard non polar33892256
Aloin,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4283.2Semi standard non polar33892256
Aloin,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4225.2Semi standard non polar33892256
Aloin,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C14244.0Semi standard non polar33892256
Aloin,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4358.7Semi standard non polar33892256
Aloin,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C14320.1Semi standard non polar33892256
Aloin,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C14257.8Semi standard non polar33892256
Aloin,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4292.0Semi standard non polar33892256
Aloin,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4230.0Semi standard non polar33892256
Aloin,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C14247.7Semi standard non polar33892256
Aloin,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4339.7Semi standard non polar33892256
Aloin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C32)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4281.8Semi standard non polar33892256
Aloin,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C14323.2Semi standard non polar33892256
Aloin,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C14262.2Semi standard non polar33892256
Aloin,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4356.1Semi standard non polar33892256
Aloin,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C14320.3Semi standard non polar33892256
Aloin,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C14256.8Semi standard non polar33892256
Aloin,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C14410.4Semi standard non polar33892256
Aloin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C32)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4294.1Semi standard non polar33892256
Aloin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C32)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4290.1Semi standard non polar33892256
Aloin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C14260.8Semi standard non polar33892256
Aloin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C32)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4222.2Semi standard non polar33892256
Aloin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C32)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4242.1Semi standard non polar33892256
Aloin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C32)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4230.8Semi standard non polar33892256
Aloin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C14430.0Semi standard non polar33892256
Aloin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C32)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4400.7Semi standard non polar33892256
Aloin,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C14338.2Semi standard non polar33892256
Aloin,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C14360.8Semi standard non polar33892256
Aloin,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C14327.3Semi standard non polar33892256
Aloin,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C32)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4328.5Semi standard non polar33892256
Aloin,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C32)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4312.8Semi standard non polar33892256
Aloin,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C32)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4337.4Semi standard non polar33892256
Aloin,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C14372.8Semi standard non polar33892256
Aloin,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C14349.6Semi standard non polar33892256
Aloin,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2=C14363.1Semi standard non polar33892256
Aloin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C14404.4Semi standard non polar33892256
Aloin,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O)=C3C(=O)C3=C(O)C=C(CO)C=C32)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4354.0Semi standard non polar33892256
Aloin,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4371.9Semi standard non polar33892256
Aloin,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(O)C=CC=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4311.1Semi standard non polar33892256
Aloin,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2=C14327.5Semi standard non polar33892256
Aloin,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4402.5Semi standard non polar33892256
Aloin,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2=C14395.2Semi standard non polar33892256
Aloin,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2=C14323.1Semi standard non polar33892256
Aloin,4TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4394.3Semi standard non polar33892256
Aloin,4TBDMS,isomer #28CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C14385.6Semi standard non polar33892256
Aloin,4TBDMS,isomer #29CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C14316.3Semi standard non polar33892256
Aloin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C14424.1Semi standard non polar33892256
Aloin,4TBDMS,isomer #30CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C14431.2Semi standard non polar33892256
Aloin,4TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4394.3Semi standard non polar33892256
Aloin,4TBDMS,isomer #32CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C14388.9Semi standard non polar33892256
Aloin,4TBDMS,isomer #33CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C14319.5Semi standard non polar33892256
Aloin,4TBDMS,isomer #34CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C14437.1Semi standard non polar33892256
Aloin,4TBDMS,isomer #35CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C14432.9Semi standard non polar33892256
Aloin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C14394.9Semi standard non polar33892256
Aloin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C32)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4399.8Semi standard non polar33892256
Aloin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C32)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4423.3Semi standard non polar33892256
Aloin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C32)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4407.4Semi standard non polar33892256
Aloin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C32)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4392.8Semi standard non polar33892256
Aloin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C32)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4375.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0pki-3419100000-2b971eeafcd6d6cbae3a2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (3 TMS) - 70eV, Positivesplash10-00xr-3710739000-bc8e0506c389a1dc8c942017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_3_17) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_3_18) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_3_19) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_4_19) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_4_21) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_4_22) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_4_23) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_4_24) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_4_25) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_4_26) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_5_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_5_13) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_5_15) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_5_16) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_5_17) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_5_18) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_5_19) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_6_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_6_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aloin GC-MS (TMS_6_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Aloin LC-ESI-QTOF , positive-QTOFsplash10-000i-0090000000-b2c1e88e2f0e1c173d2b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Aloin LC-ESI-QTOF , positive-QTOFsplash10-000i-0090000000-9d98f95e98ec1c3dfbcd2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Aloin LC-ESI-QTOF , positive-QTOFsplash10-01p9-0090000000-683d7650547bc0b642902017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Aloin 10V, Positive-QTOFsplash10-000i-0090000000-06946456cedf05f600502021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Aloin 15V, Positive-QTOFsplash10-000i-0090000000-e2e8ffa4a64ce61b50452021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Aloin 10V, Positive-QTOFsplash10-000i-0090000000-d42db020466e95e8b4ca2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Aloin 20V, Positive-QTOFsplash10-01p9-0090000000-ca56a8d637ac21788f402021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Aloin 20V, Positive-QTOFsplash10-01p9-0090000000-27a995266e410cc6d92f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Aloin 15V, Positive-QTOFsplash10-000i-0090000000-002e3754c4821265fbd52021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aloin 10V, Positive-QTOFsplash10-0uxr-0011900000-a5045cd633dc0bf7748e2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aloin 20V, Positive-QTOFsplash10-0uyi-2397800000-da3da58bef3b6e8f16902015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aloin 40V, Positive-QTOFsplash10-0159-2192000000-16a746375d56dd614ac12015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aloin 10V, Negative-QTOFsplash10-014j-1146900000-c5f36a22fe5e5e6e70ac2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aloin 20V, Negative-QTOFsplash10-00rb-6329200000-8e01ecbe8e7987e45ca02015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aloin 40V, Negative-QTOFsplash10-0a4l-9082000000-fa8afb3f04a27a6a78e42015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aloin 10V, Negative-QTOFsplash10-014i-0016900000-c3255244e91b417def012021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aloin 20V, Negative-QTOFsplash10-00lb-0069200000-0091402df4c2a4c01de42021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aloin 40V, Negative-QTOFsplash10-0570-1090000000-a8169f0ca5e984f1d0952021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aloin 10V, Positive-QTOFsplash10-014i-0031900000-7b56c4581d3f1be92b772021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aloin 20V, Positive-QTOFsplash10-014r-0391200000-9d62f75a4a90996aa4482021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aloin 40V, Positive-QTOFsplash10-0ap0-6192000000-67ebe7a254c1ca76622d2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart 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 IDFDB013867
KNApSAcK IDC00002797
Chemspider ID277139
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAloin
METLIN IDNot Available
PubChem Compound313325
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)Download (PDF)
General References
  1. Capasso F, Mascolo N, Autore G, Duraccio MR: Effect of indomethacin on aloin and 1,8 dioxianthraquinone-induced production of prostaglandins in rat isolated colon. Prostaglandins. 1983 Oct;26(4):557-62. [PubMed:6658004 ]
  2. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .