(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosiduronic acid

CAS Registry Number®

80135-33-7

CAS Name

(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosiduronic acid

Molecular Formula

C48H76O18

Molecular Mass

941.11

Cite this Page

(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80135-33-7 (retrieved 2025-01-20) (CAS RN: 80135-33-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H76O18/c1-21-28(50)30(52)33(55)39(61-21)64-36-32(54)35(57)41(65-37(36)38(58)59)63-27-12-13-45(6)25(44(27,4)5)11-14-47(8)26(45)10-9-22-23-19-43(2,3)15-17-48(23,18-16-46(22,47)7)42(60)66-40-34(56)31(53)29(51)24(20-49)62-40/h9,21,23-37,39-41,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34+,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1

InChIKey

InChIKey=FWGUQBCYEUGRPQ-IRWWUQPRSA-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)(C)[C@@H](O[C@@H]7O[C@H](C(O)=O)[C@@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@H](O)[C@H]7O)CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC54C)C2(C)C)C(O)C(O)C1OC8OC(C)C(O)C(O)C8O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-
  • Oleanane, β-D-glucopyranosiduronic acid deriv.
  • (3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosiduronic acid
  • Saponin C, from Achyranthesaspera
  • Olaxoside