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Substance Name: 3-Episarmentogenin
RN: 465-12-3
InChIKey: FLMSQRUGSHIKCT-VLRKFSHQSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C23-H34-O5

Molecular Weight

  • 390.5166
 
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Names and Synonyms

Results Name

  • 3-Episarmentogenin

Synonym

  • 3-Episarmentogenin

Systematic Names

  • 5-beta-Card-20(22)-enolide, 3-alpha,11-alpha,14-trihydroxy-
  • Card-20(22)-enolide, 3,11,14-trihydroxy-, (3-alpha,5-beta,11-alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 465-12-3

System Generated Number

  • 0000465123

Structure Descriptors

InChI

1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-20(21)18(25)11-22(2)16(6-8-23(17,22)27)13-9-19(26)28-12-13/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15-,16-,17-,18-,20-,21+,22-,23+/m1/s1

InChIKey

FLMSQRUGSHIKCT-VLRKFSHQSA-N

Smiles

C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 2960ug/kg (2.96mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.