Licoricesaponin C2

CAS Registry Number®

118525-49-8
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CAS Name

Licoricesaponin C2

Molecular Formula

C42H62O15

Molecular Mass

806.93

Cite this Page

Licoricesaponin C2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=118525-49-8 (retrieved 2024-05-16) (CAS RN: 118525-49-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H62O15/c1-37(2)21-10-13-42(7)22(9-8-19-20-18-39(4,36(52)53)15-14-38(20,3)16-17-41(19,42)6)40(21,5)12-11-23(37)54-35-31(27(46)26(45)30(56-35)33(50)51)57-34-28(47)24(43)25(44)29(55-34)32(48)49/h8-9,21-31,34-35,43-47H,10-18H2,1-7H3,(H,48,49)(H,50,51)(H,52,53)/t21-,22+,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35+,38+,39-,40-,41+,42+/m0/s1

InChIKey

InChIKey=WPDHECQXVOACTR-MOBXHYNLSA-N

SMILES

C[C@]12[C@@]3(C)C(=C4[C@@](C)(CC3)CC[C@@](C(O)=O)(C)C4)C=C[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O6)CC5)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2C(OC(C(=O)O)C(O)C2O)OC3CCC4(C)C5C=CC6=C7CC(C(=O)O)(C)CCC7(C)CCC6(C)C5(C)CCC4C3(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-30-noroleana-11,13(18)-dien-3-yl 2-O-β-D-glucopyranuronosyl-
  • 30-Noroleanane, β-D-glucopyranosiduronic acid deriv.
  • (3β,20β)-20-Carboxy-30-noroleana-11,13(18)-dien-3-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid
  • Saponin C2, from licorice
  • Licoricesaponin C2

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