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Substance Name: (3beta,16alpha)-3-(beta-D-Glucopyranosyloxy)-16-hydroxyolean-12-en-28-oic acid
RN: 78285-90-2
InChIKey: WYDPEADEZMZKNM-SMJDYCQISA-N

Molecular Formula

  • C36-H58-O9

Molecular Weight

  • 634.8452
 
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Names and Synonyms

Synonym

  • EINECS 278-887-0

Systematic Name

  • (3beta,16alpha)-3-(beta-D-Glucopyranosyloxy)-16-hydroxyolean-12-en-28-oic acid

Registry Numbers

CAS Registry Number

  • 78285-90-2

System Generated Number

  • 0078285902

Structure Descriptors

InChI

1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21-,22?,23-,24-,25+,26-,27+,28-,29+,33+,34-,35-,36-/m1/s1

InChIKey

WYDPEADEZMZKNM-SMJDYCQISA-N

Smiles

C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O