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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta,6,14-trihydroxy-
RN: 102305-50-0
InChIKey: NAUPKGAOVHSNRY-CIKZRQIISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H34-O5

Molecular Weight

  • 390.5166
 
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Names and Synonyms

Synonym

  • 3-beta,6,14-Trihydroxy-5-beta-card-20(22)-enolide

Systematic Names

  • 5-beta-Card-20(22)-enolide, 3-beta,6,14-trihydroxy-
  • Card-20(22)-enolide, 3,6,14-trihydroxy-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 102305-50-0

System Generated Number

  • 0102305500

Structure Descriptors

InChI

1S/C23H34O5/c1-21-6-3-14(24)10-18(21)19(25)11-17-16(21)4-7-22(2)15(5-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17+,18-,19?,21+,22+,23-/m0/s1

InChIKey

NAUPKGAOVHSNRY-CIKZRQIISA-N

Smiles

C[C@]12CC[C@@H](C[C@H]1C(C[C@@H]3[C@@H]2CC[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 39mg/kg (39mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 15, Pg. 521, 1980.