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Substance Name: Carda-5,20(22)-dienolide, 3-beta,14,19-trihydroxy-
RN: 546-03-2
InChIKey: DUSRIIPEQBGMHU-KQYWMCCWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-O5

Molecular Weight

  • 388.501
 
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Names and Synonyms

Synonyms

  • 4-18-00-02541 (Beilstein Handbook Reference)
  • BRN 0053910
  • Pachygenol

Systematic Name

  • Carda-5,20(22)-dienolide, 3-beta,14,19-trihydroxy-

Registry Numbers

CAS Registry Number

  • 546-03-2

System Generated Number

  • 0000546032

Structure Descriptors

InChI

1S/C23H32O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h2,10,16-19,24-25,27H,3-9,11-13H2,1H3/t16-,17?,18?,19?,21+,22+,23-/m0/s1

InChIKey

DUSRIIPEQBGMHU-KQYWMCCWSA-N

Smiles

C=12[C@@]([C@@H]3[C@@H]([C@@]4([C@]([C@@H](C=5COC(C5)=O)CC4)(C)CC3)O)CC1)(CC[C@@H](C2)O)CO

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.