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Substance Name: Licorice saponin C2
RN: 118525-49-8
InChIKey: WPDHECQXVOACTR-KSHPUXFISA-N

Molecular Formula

  • C42-H62-O15

Molecular Weight

  • 806.9368
 
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Names and Synonyms

Results Name

  • Licorice saponin C2

Synonyms

  • Licoricesaponin C2
  • Olean-11,13(18)-diene-3beta-ol-30-oic acid 3-O-beta-D-glucuronopyranosyl-(1-2)beta-D-glucuronopyranoside
  • Saponin C2, from licorice

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-30-noroleana-11,13(18)-dien-3-yl 2-O-b-D-glucopyranuronosyl-

Registry Numbers

CAS Registry Number

  • 118525-49-8

System Generated Number

  • 0118525498

Structure Descriptors

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

WPDHECQXVOACTR-KSHPUXFISA-N

Smiles

C[C@]12CC[C@](CC1=C3C=C[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O