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Substance Name: Licoricesaponin A3
RN: 118325-22-7
UNII: 88G00OJY89
InChIKey: HJFOOTRGDAPZMV-SMVKYPPISA-N

Molecular Formula

  • C48-H72-O21

Molecular Weight

  • 985.0758
 
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Names and Synonyms

Name of Substance

  • Licoricesaponin A3

Synonyms

  • beta-D-Glucopyranosiduronic acid, (3beta,20beta)-29-(beta-D-glucopyranosyloxy)-11,29-dioxoolean-12-en-3-yl 2-o-beta-D-glucopyranuronosyl-
  • Licorice-saponin A3
  • Licoricesaponin A3
  • UNII-88G00OJY89

Registry Numbers

CAS Registry Number

  • 118325-22-7

FDA UNII

  • 88G00OJY89

System Generated Number

  • 0118325227

Structure Descriptors

InChI

1S/C48H72O21/c1-43(2)23-8-11-48(7)36(21(50)16-19-20-17-45(4,13-12-44(20,3)14-15-47(19,48)6)42(63)69-39-31(57)26(52)25(51)22(18-49)64-39)46(23,5)10-9-24(43)65-41-35(30(56)29(55)34(67-41)38(61)62)68-40-32(58)27(53)28(54)33(66-40)37(59)60/h16,20,22-36,39-41,49,51-58H,8-15,17-18H2,1-7H3,(H,59,60)(H,61,62)/t20-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,39-,40-,41+,44+,45-,46-,47+,48+/m0/s1

InChIKey

HJFOOTRGDAPZMV-SMVKYPPISA-N

Smiles

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[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[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O