β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23-hydroxy-28-oxours-12-en-3-yl 2-O-α-L-arabinopyranosyl-

CAS Registry Number®

117804-10-1

CAS Name

β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23-hydroxy-28-oxours-12-en-3-yl 2-O-α-L-arabinopyranosyl-

Molecular Formula

C47H74O19

Molecular Mass

943.08

Cite this Page

β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23-hydroxy-28-oxours-12-en-3-yl 2-O-α-L-arabinopyranosyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117804-10-1 (retrieved 2024-11-12) (CAS RN: 117804-10-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H74O19/c1-20-9-14-47(42(60)66-40-35(57)31(53)30(52)24(17-48)62-40)16-15-45(5)22(28(47)21(20)2)7-8-26-43(3)12-11-27(44(4,19-49)25(43)10-13-46(26,45)6)63-41-37(33(55)32(54)36(64-41)38(58)59)65-39-34(56)29(51)23(50)18-61-39/h7,20-21,23-37,39-41,48-57H,8-19H2,1-6H3,(H,58,59)/t20-,21+,23+,24-,25-,26-,27+,28+,29+,30-,31+,32+,33+,34-,35-,36+,37-,39+,40+,41-,43+,44+,45-,46-,47+/m1/s1

InChIKey

InChIKey=QHWJYYBRVQGYAR-DLCGRDDYSA-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]8[C@H](O)[C@@H](O)[C@@H](O)CO8)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O7)CC6)[H])[H])([C@@H](C)[C@H](C)CC3)[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6C(C)C(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC3C2(C)CO)C(OC8OCC(O)C(O)C8O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23-hydroxy-28-oxours-12-en-3-yl 2-O-α-L-arabinopyranosyl-
  • Ursane, β-D-glucopyranosiduronic acid deriv.
  • Cynarasaponin D

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles