Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxy-, β-D-glucopyranosyl ester, (3β,4α)-

CAS Registry Number®

169397-84-6

CAS Name

Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxy-, β-D-glucopyranosyl ester, (3β,4α)-

Molecular Formula

C47H76O18

Molecular Mass

929.10

Cite this Page

Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxy-, 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=169397-84-6 (retrieved 2025-01-11) (CAS RN: 169397-84-6).  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)13-15-47(41(59)65-40-35(57)33(55)31(53)26(19-49)62-40)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-38-36(58)37(24(51)20-60-38)64-39-34(56)32(54)30(52)25(18-48)61-39/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24+,25+,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1

InChIKey

InChIKey=OEFVOSBEQLVVEZ-MTVXVCNISA-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]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)(CO)C6CCC5(C)C4(C)CC2

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxy-, β-D-glucopyranosyl ester, (3β,4α)-
  • Medicoside E
  • (+)-Medicoside E

CAS INSIGHTSTM
Antibodies (immunoglobulins) are responsible for specific immunity