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Substance Name: Hederagenin methyl ester
RN: 17736-04-8
UNII: 3M463IF95D
InChIKey: PLMKQQMDOMTZGG-HDUSDABTSA-N

Molecular Weight

  • 486.732
 
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Names and Synonyms

Name of Substance

  • Hederagenin methyl ester

Synonyms

  • Caulosapogenin, methyl ester
  • Hederagenin methyl ester [MI]
  • Methyl hederagenate
  • Methyl hederagenin
  • Olean-12-en-28-oic acid, 3,23-dihydroxy-, methyl ester, (3beta,4alpha)-
  • Olean-12-en-28-oic acid, 3beta,23-dihydroxy-, methyl ester
  • UNII-3M463IF95D

Registry Numbers

CAS Registry Number

  • 17736-04-8

FDA UNII

  • 3M463IF95D

System Generated Number

  • 0017736048

Structure Descriptors

InChI

1S/C31H50O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22+,23+,24-,27-,28-,29+,30+,31-/m0/s1

InChIKey

PLMKQQMDOMTZGG-HDUSDABTSA-N

Smiles

C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)(C)CO)O