28-β-D-Glucopyranosyl 29-methyl (3β,20β)-3-(β-D-glucopyranuronosyloxy)olean-12-ene-28,29-dioate

CAS Registry Number®

145826-48-8

CAS Name

28-β-D-Glucopyranosyl 29-methyl (3β,20β)-3-(β-D-glucopyranuronosyloxy)olean-12-ene-28,29-dioate

Molecular Formula

C43H66O16

Molecular Mass

838.97

Cite this Page

28-β-D-Glucopyranosyl 29-methyl (3β,20β)-3-(β-D-glucopyranuronosyloxy)olean-12-ene-28,29-dioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=145826-48-8 (retrieved 2024-11-22) (CAS RN: 145826-48-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H66O16/c1-38(2)23-10-13-42(6)24(40(23,4)12-11-25(38)57-35-31(50)28(47)29(48)32(58-35)33(51)52)9-8-20-21-18-39(3,36(53)55-7)14-16-43(21,17-15-41(20,42)5)37(54)59-34-30(49)27(46)26(45)22(19-44)56-34/h8,21-32,34-35,44-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40-,41+,42+,43-/m0/s1

InChIKey

InChIKey=MUEUOXPTUMGVJS-BQCKFNBUSA-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(C)(C)[C@@H](O[C@@H]7O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]7O)CC6)[H])[H])(C[C@](C(OC)=O)(C)CC3)[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C(=O)OC)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC54C)C2(C)C)C(O)C(O)C1O

Other Names for this Substance

  • Olean-12-ene-28,29-dioic acid, 3-(β-D-glucopyranuronosyloxy)-, 28-β-D-glucopyranosyl 29-methyl ester, (3β,20β)-
  • 28-β-D-Glucopyranosyl 29-methyl (3β,20β)-3-(β-D-glucopyranuronosyloxy)olean-12-ene-28,29-dioate
  • Talinumoside I
  • 3-O-β-D-Glucuronopyranosylserjanic acid 28-O-β-D-glucopyranosyl ester

CAS INSIGHTSTM
Targeted protein degrader structure, illustration