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Substance Name: Hederagenin
RN: 465-99-6
UNII: RQF57J8212
InChIKey: PGOYMURMZNDHNS-MYPRUECHSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C30-H48-O4

Molecular Weight

  • 472.705
 
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Names and Synonyms

Name of Substance

  • Hederagenin

Synonyms

  • (3-beta,4-alpha)-3,23-Dihydroxyolean-12-en-28-oic acid
  • Astrantiagenin E
  • Caulosapogenin
  • EINECS 207-369-9
  • Hederagenic acid
  • Hederagenin
  • Hederagenol
  • NSC 24954
  • UNII-RQF57J8212

Systematic Names

  • (3beta,4alpha)-3,23-Dihydroxyolean-12-en-28-oic acid
  • Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3-beta,4-alpha)-
  • Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3beta,4alpha)- (9CI)
  • Olean-12-en-28-oic acid, 3-beta,23-dihydroxy- (6CI,7CI,8CI)
  • Olean-12-en-28-oic acid, 3beta,23-dihydroxy- (8CI)

Registry Numbers

CAS Registry Number

  • 465-99-6

FDA UNII

  • RQF57J8212

System Generated Number

  • 0000465996

Structure Descriptors

InChI

1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1

InChIKey

PGOYMURMZNDHNS-MYPRUECHSA-N

Smiles

C1=2[C@@]([C@@]3([C@@H]([C@@]4(CC[C@@H]([C@]([C@@H]4CC3)(CO)C)O)C)CC2)C)(CC[C@@]2(C(=O)O)CCC(C[C@@H]12)(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Indian Journal of Medical Research. Vol. 58, Pg. 724, 1970.