28-β-D-Glucopyranosyl (2β,3β,4α)-3-(β-D-glucopyranuronosyloxy)-2-hydroxy-30-noroleana-12,20(29)-diene-23,28-dioate

CAS Registry Number®

214840-34-3

CAS Name

28-β-D-Glucopyranosyl (2β,3β,4α)-3-(β-D-glucopyranuronosyloxy)-2-hydroxy-30-noroleana-12,20(29)-diene-23,28-dioate

Molecular Formula

C41H60O17

Molecular Mass

824.90

Cite this Page

28-β-D-Glucopyranosyl (2β,3β,4α)-3-(β-D-glucopyranuronosyloxy)-2-hydroxy-30-noroleana-12,20(29)-diene-23,28-dioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=214840-34-3 (retrieved 2024-11-22) (CAS RN: 214840-34-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H60O17/c1-17-8-11-41(36(54)58-33-28(48)25(45)24(44)21(16-42)55-33)13-12-38(3)18(19(41)14-17)6-7-22-37(2)15-20(43)31(40(5,35(52)53)23(37)9-10-39(22,38)4)57-34-29(49)26(46)27(47)30(56-34)32(50)51/h6,19-31,33-34,42-49H,1,7-16H2,2-5H3,(H,50,51)(H,52,53)/t19-,20-,21+,22+,23+,24+,25-,26-,27-,28+,29+,30-,31-,33-,34-,37+,38+,39+,40-,41-/m0/s1

InChIKey

InChIKey=UDJQXYVUQBGNDM-CQZLEYNHSA-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(O)=O)(C)[C@@H](O[C@@H]7O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)C6)[H])[H])(CC(=C)CC3)[H]

Canonical SMILES

O=C(O)C1OC(OC2C(O)CC3(C)C4CC=C5C6CC(=C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC3C2(C(=O)O)C)C(O)C(O)C1O

Other Names for this Substance

  • 30-Noroleana-12,20(29)-diene-23,28-dioic acid, 3-(β-D-glucopyranuronosyloxy)-2-hydroxy-, 28-β-D-glucopyranosyl ester, (2β,3β,4α)-
  • 28-β-D-Glucopyranosyl (2β,3β,4α)-3-(β-D-glucopyranuronosyloxy)-2-hydroxy-30-noroleana-12,20(29)-diene-23,28-dioate
  • 3-O-β-D-Glucuronopyranosyl-2β,3β-dihydroxy-30-norolean-12,20(29)-diene-23,28-dioic acid 28-O-β-D-glucopyranosyl ester

Deleted or Replaced CAS Registry Numbers

480423-81-2

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