Cynarasaponin C

CAS Registry Number®

117804-09-8

CAS Name

Cynarasaponin C

Molecular Formula

C42H66O14

Cite this Page

Cynarasaponin C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117804-09-8 (retrieved 2024-12-23) (CAS RN: 117804-09-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H66O14/c1-19-10-15-42(37(52)56-35-31(48)28(45)27(44)22(18-43)53-35)17-16-40(6)21(26(42)20(19)2)8-9-24-39(5)13-12-25(38(3,4)23(39)11-14-41(24,40)7)54-36-32(49)29(46)30(47)33(55-36)34(50)51/h8,19-20,22-33,35-36,43-49H,9-18H2,1-7H3,(H,50,51)/t19-,20+,22-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33+,35+,36-,39+,40-,41-,42+/m1/s1

InChIKey

InChIKey=HLVIRJDEEXUEKR-GTMAMPFPSA-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](O)[C@H]7O)CC6)[H])[H])([C@@H](C)[C@H](C)CC3)[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6C(C)C(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC54C)C2(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxours-12-en-3-yl
  • Ursane, β-D-glucopyranosiduronic acid deriv.
  • (3β)-28-(β-D-Glucopyranosyloxy)-28-oxours-12-en-3-yl β-D-glucopyranosiduronic acid
  • Cynarasaponin C

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