Cynarasaponin E

CAS Registry Number®

117804-11-2

CAS Name

Cynarasaponin E

Molecular Formula

C42H66O15

Molecular Mass

810.97

Cite this Page

Cynarasaponin E.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117804-11-2 (retrieved 2025-08-15) (CAS RN: 117804-11-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H66O15/c1-19-9-14-42(37(53)57-35-31(49)28(46)27(45)22(17-43)54-35)16-15-40(5)21(26(42)20(19)2)7-8-24-38(3)12-11-25(39(4,18-44)23(38)10-13-41(24,40)6)55-36-32(50)29(47)30(48)33(56-36)34(51)52/h7,19-20,22-33,35-36,43-50H,8-18H2,1-6H3,(H,51,52)/t19-,20+,22-,23-,24-,25+,26+,27-,28+,29+,30+,31-,32-,33+,35+,36-,38+,39+,40-,41-,42+/m1/s1

InChIKey

InChIKey=UHQNVKKALWJDQL-MAGWOZCJSA-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]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)C4CC=C5C6C(C)C(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC3C2(C)CO)C(O)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
  • (3β,4α)-28-(β-D-Glucopyranosyloxy)-23-hydroxy-28-oxours-12-en-3-yl β-D-glucopyranosiduronic acid
  • Cynarasaponin E

CAS INSIGHTSTM
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