Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, β-D-glucopyranosyl ester, (3β,16α)-

CAS Registry Number®

289649-54-3
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CAS Name

Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, β-D-glucopyranosyl ester, (3β,16α)-

Molecular Formula

C47H76O18

Molecular Mass

929.10

Cite this Page

Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, β-D-glucopyranosyl ester, (3β,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=289649-54-3 (retrieved 2024-09-21) (CAS RN: 289649-54-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H76O18/c1-42(2)14-15-47(41(59)65-40-35(57)33(55)31(53)25(19-49)62-40)22(16-42)21-8-9-27-44(5)12-11-29(43(3,4)26(44)10-13-45(27,6)46(21,7)17-28(47)51)63-38-36(58)37(23(50)20-60-38)64-39-34(56)32(54)30(52)24(18-48)61-39/h8,22-40,48-58H,9-20H2,1-7H3/t22-,23-,24+,25+,26-,27+,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,44-,45+,46+,47+/m0/s1

InChIKey

InChIKey=DYJBTUINEBYYQT-WLKJUBLPSA-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)(C[C@H]2O)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)CO7)CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, β-D-glucopyranosyl ester, (3β,16α)-
  • Araliasaponin I
  • Araliasaponin I (Aralia elata)