17Alpha-Thevebioside

CAS

114613-59-1

Catalog Number

ACM114613591

Category

Other Products

Molecular Weight

696.83

Molecular Formula

C36H56O13

MSDS COA Spec Sheet

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Specification

Synonyms

17α-Thevebioside

IUPAC Name

3-[14-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Canonical SMILES

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)OC7C(C(C(C(O7)CO)O)O)O

InChI

InChI=1S/C36H56O13/c1-17-30(49-32-28(41)27(40)26(39)24(15-37)48-32)31(44-4)29(42)33(46-17)47-20-7-10-34(2)19(14-20)5-6-23-22(34)8-11-35(3)21(9-12-36(23,35)43)18-13-25(38)45-16-18/h13,17,19-24,26-33,37,39-43H,5-12,14-16H2,1-4H3

InChI Key

LBCSKUSUYQVKDB-UHFFFAOYSA-N

Boiling Point

856.7±65.0 °C

Density

1.38±0.1 g/ml

Appearance

Solid

Physical Description

Powder

pKa

12.79±0.70