Licoricesaponin G2

CAS Registry Number®

118441-84-2

CAS Name

Licoricesaponin G2

Molecular Formula

C42H62O17

Molecular Mass

838.93

Cite this Page

Licoricesaponin G2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=118441-84-2 (retrieved 2024-11-24) (CAS RN: 118441-84-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    229-230 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,37+,38-,39-,40+,41+,42+/m0/s1

InChIKey

InChIKey=WBQVRPYEEYUEBQ-OJVDLISWSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)CC[C@@](C(O)=O)(C)C4)[H])=CC(=O)[C@@]1([C@]5(C)[C@@](CC2)([C@](CO)(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(=O)C=C6C7CC(C(=O)O)(C)CCC7(C)CCC6(C)C5(C)CCC4C3(C)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,20β)-20-carboxy-23-hydroxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-
  • 30-Noroleanane, β-D-glucopyranosiduronic acid deriv.
  • (3β,4β,20β)-20-Carboxy-23-hydroxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid
  • Licoricesaponin G2
  • Saponin G2, from licorice

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