Cynarasaponin J

CAS Registry Number®

117804-15-6

CAS Name

Cynarasaponin J

Molecular Formula

C47H74O19

Molecular Mass

943.08

Cite this Page

Cynarasaponin J.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117804-15-6 (retrieved 2024-11-12) (CAS RN: 117804-15-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H74O19/c1-42(2)16-21-20-8-9-25-44(5)12-11-27(63-40-36(32(55)31(54)35(64-40)37(58)59)65-38-33(56)28(51)22(49)19-61-38)43(3,4)24(44)10-13-46(25,7)45(20,6)14-15-47(21,17-26(42)50)41(60)66-39-34(57)30(53)29(52)23(18-48)62-39/h8,21-36,38-40,48-57H,9-19H2,1-7H3,(H,58,59)/t21-,22-,23+,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35-,36+,38-,39-,40+,44-,45+,46+,47+/m0/s1

InChIKey

InChIKey=WFSMZACCERKEEN-ZFWAAUCLSA-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]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])(CC(C)(C)[C@@H](O)C3)[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)C(O)CC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC3C2(C)C)C(OC8OCC(O)C(O)C8O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,21β)-28-(β-D-glucopyranosyloxy)-21-hydroxy-28-oxoolean-12-en-3-yl 2-O-α-L-arabinopyranosyl-
  • (3β,21β)-28-(β-D-Glucopyranosyloxy)-21-hydroxy-28-oxoolean-12-en-3-yl 2-O-α-L-arabinopyranosyl-β-D-glucopyranosiduronic acid
  • Cynarasaponin J

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles