(3β,16α)-28-(β-D-Glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→3)-β-D-glucopyranosiduronic acid

CAS Registry Number®

1293918-34-9

CAS Name

(3β,16α)-28-(β-D-Glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→3)-β-D-glucopyranosiduronic acid

Molecular Formula

C52H82O23

Molecular Mass

1075.19

Cite this Page

(3β,16α)-28-(β-D-Glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→3)-β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1293918-34-9 (retrieved 2024-12-23) (CAS RN: 1293918-34-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H82O23/c1-47(2)14-15-52(46(67)75-43-35(62)33(60)32(59)25(18-53)70-43)22(16-47)21-8-9-27-49(5)12-11-29(48(3,4)26(49)10-13-50(27,6)51(21,7)17-28(52)56)71-44-37(64)38(36(63)39(73-44)41(65)66)72-45-40(31(58)24(55)20-69-45)74-42-34(61)30(57)23(54)19-68-42/h8,22-40,42-45,53-64H,9-20H2,1-7H3,(H,65,66)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-,37+,38-,39-,40+,42-,43-,44+,45-,49-,50+,51+,52+/m0/s1

InChIKey

InChIKey=DIPDDQDKKVVWRH-ILKBLGRDSA-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]8[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O)CO9)[C@@H](O)[C@@H](O)CO8)[C@H](O)[C@@H](C(O)=O)O7)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)C(O)CC54C)C2(C)C)C(O)C(OC8OCC(O)C(O)C8OC9OCC(O)C(O)C9O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,16α)-28-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→3)-
  • (3β,16α)-28-(β-D-Glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→3)-β-D-glucopyranosiduronic acid
  • Gordonoside L

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.