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Substance Name: 3-O-(beta-D-Glucuronopyranosyl-(1->2)-beta-D-galactopyranosyl)glycyrrhetic acid
RN: 138268-00-5
UNII: HH9RL35865
InChIKey: IXEZXGJHEPIUPS-FNDKVILYSA-N

Molecular Formula

  • C42-H64-O15

Molecular Weight

  • 808.9526
 
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Names and Synonyms

Name of Substance

  • 3-O-(beta-D-Glucuronopyranosyl-(1->2)-beta-D-galactopyranosyl)glycyrrhetic acid

Synonyms

  • 3-O-(beta-D-Glucuronopyranosyl-(1 -> 2)-beta-dgalactopyranosyl) glycyrrhetic acid
  • 3-O-(beta-D-Glucuronopyranosyl-(1->2)-beta-D-galactopyranosyl)glycyrrhetic acid
  • Olean-12-en-29-oic acid, 3-((2-o-beta-D-glucopyranuronosyl-beta-D-galactopyranosyl)oxy)-11-oxo-, (3beta,20beta)-
  • UNII-HH9RL35865

Registry Numbers

CAS Registry Number

  • 138268-00-5

FDA UNII

  • HH9RL35865

System Generated Number

  • 0138268005

Structure Descriptors

InChI

1S/C42H64O15/c1-37(2)23-8-11-42(7)32(21(44)16-19-20-17-39(4,36(52)53)13-12-38(20,3)14-15-41(19,42)6)40(23,5)10-9-24(37)55-35-31(27(47)25(45)22(18-43)54-35)57-34-29(49)26(46)28(48)30(56-34)33(50)51/h16,20,22-32,34-35,43,45-49H,8-15,17-18H2,1-7H3,(H,50,51)(H,52,53)/t20-,22+,23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,34-,35-,38+,39-,40-,41+,42+/m0/s1

InChIKey

IXEZXGJHEPIUPS-FNDKVILYSA-N

Smiles

CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(=O)O