Olean-12-ene-28,29-dioic acid, 3-[(3-O-α-L-arabinopyranosyl-β-D-glucopyranuronosyl)oxy]-23-hydroxy-, 28-β-D-glucopyranosyl 29-methyl ester, (3β,4α,20β)-

CAS Registry Number®

329327-64-2
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CAS Name

Olean-12-ene-28,29-dioic acid, 3-[(3-O-α-L-arabinopyranosyl-β-D-glucopyranuronosyl)oxy]-23-hydroxy-, 28-β-D-glucopyranosyl 29-methyl ester, (3β,4α,20β)-

Molecular Formula

C48H74O21

Molecular Mass

987.09

Cite this Page

Olean-12-ene-28,29-dioic acid, 3-[(3-O-α-L-arabinopyranosyl-β-D-glucopyranuronosyl)oxy]-23-hydroxy-, 28-β-D-glucopyranosyl 29-methyl ester, (3β,4α,20β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=329327-64-2 (retrieved 2024-09-20) (CAS RN: 329327-64-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H74O21/c1-43(41(61)63-6)13-15-48(42(62)69-39-32(56)30(54)29(53)24(18-49)65-39)16-14-46(4)21(22(48)17-43)7-8-26-44(2)11-10-27(45(3,20-50)25(44)9-12-47(26,46)5)66-40-34(58)35(33(57)36(68-40)37(59)60)67-38-31(55)28(52)23(51)19-64-38/h7,22-36,38-40,49-58H,8-20H2,1-6H3,(H,59,60)/t22-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32+,33-,34+,35-,36-,38-,39-,40+,43-,44-,45-,46+,47+,48-/m0/s1

InChIKey

InChIKey=TUWSRZTXXLFKKO-NGUNOBQXSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)([C@@](CO)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O)CO8)[C@H](O)[C@@H](C(O)=O)O7)CC6)[H])[H])(C[C@](C(OC)=O)(C)CC3)[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C(=O)OC)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC3C2(C)CO)C(O)C(OC8OCC(O)C(O)C8O)C1O

Other Names for this Substance

  • Olean-12-ene-28,29-dioic acid, 3-[(3-O-α-L-arabinopyranosyl-β-D-glucopyranuronosyl)oxy]-23-hydroxy-, 28-β-D-glucopyranosyl 29-methyl ester, (3β,4α,20β)-