Olean-12-ene-23,28-dioic acid, 3-[[3,4-O-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl]-β-D-glucopyranuronosyl]oxy]-, 28-β-D-glucopyranosyl ester, (3β,4α)-

CAS Registry Number®

354552-04-8

CAS Name

Olean-12-ene-23,28-dioic acid, 3-[[3,4-O-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl]-β-D-glucopyranuronosyl]oxy]-, 28-β-D-glucopyranosyl ester, (3β,4α)-

Molecular Formula

C47H68O22

Molecular Mass

985.03

Cite this Page

Olean-12-ene-23,28-dioic acid, 3-[[3,4-O-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl]-β-D-glucopyranuronosyl]oxy]-, 28-β-D-glucopyranosyl ester, (3β,4α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=354552-04-8 (retrieved 2024-11-08) (CAS RN: 354552-04-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H68O22/c1-41(2)13-15-46(39(61)68-35-29(53)28(52)27(51)22(18-48)64-35)16-14-43(4)20(21(46)17-41)7-8-23-42(3)11-10-25(45(6,37(57)58)24(42)9-12-44(23,43)5)65-36-30(54)31-32(33(66-36)34(55)56)69-47(62,38(59)60)40(67-31)63-19-26(49)50/h7,21-25,27-33,35-36,40,48,51-54,62H,8-19H2,1-6H3,(H,49,50)(H,55,56)(H,57,58)(H,59,60)/t21-,22+,23+,24+,25-,27+,28-,29+,30+,31+,32-,33-,35-,36+,40-,42+,43+,44+,45-,46-,47-/m0/s1

InChIKey

InChIKey=CSVNFXHGUWHHIF-XDDIMSPDSA-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]7[C@H](O)[C@@]8([C@@]([C@@H](C(O)=O)O7)(O[C@](C(O)=O)(O)[C@@H](OCC(O)=O)O8)[H])[H])CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(O)COC1OC2C(O)C(OC(C(=O)O)C2OC1(O)C(=O)O)OC3CCC4(C)C5CC=C6C7CC(C)(C)CCC7(C(=O)OC8OC(CO)C(O)C(O)C8O)CCC6(C)C5(C)CCC4C3(C(=O)O)C

Other Names for this Substance

  • Olean-12-ene-23,28-dioic acid, 3-[[3,4-O-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl]-β-D-glucopyranuronosyl]oxy]-, 28-β-D-glucopyranosyl ester, (3β,4α)-
  • Basellasaponin C

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles