β-D-Glucopyranosyl (3β,4α)-3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate

CAS Registry Number®

141492-08-2
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CAS Name

β-D-Glucopyranosyl (3β,4α)-3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate

Molecular Formula

C47H76O18

Molecular Mass

929.10

Cite this Page

β-D-Glucopyranosyl (3β,4α)-3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=141492-08-2 (retrieved 2024-09-21) (CAS RN: 141492-08-2).  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)65-39-36(58)34(56)32(54)26(19-49)62-39)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)63-40-37(30(52)24(51)20-60-40)64-38-35(57)33(55)31(53)25(18-48)61-38/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=KOQPPOSSMNKJPO-YWBCTTEYSA-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]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[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(O)C7OC8OC(CO)C(O)C(O)C8O)C(C)(CO)C6CCC5(C)C4(C)CC2

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-23-hydroxy-, β-D-glucopyranosyl ester, (3β,4α)-
  • β-D-Glucopyranosyl (3β,4α)-3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate
  • Medicoside F
  • 3-O-[β-D-Glucopyranosyl(1→2)-α-L-arabinopyranosyl]hederagenin-28-O-[β-D-glucopyranosyl ester