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Substance Name: Pachygenin-3-acetate
RN: 15571-07-0
InChIKey: YXVAJWQGXKVWEN-PNALVPCQSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C25-H32-O6

Molecular Weight

  • 428.5218
 
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Names and Synonyms

Results Name

  • Pachygenin-3-acetate

Synonyms

  • 3-Acetyl-delta(sup 5)-anhydrostrophanthidin
  • 3-beta,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide 3-acetate
  • 4-18-00-02586 (Beilstein Handbook Reference)
  • BRN 0064348
  • Carda-5,20(22)-dienolide, 3-(acetyloxy)-14-hydroxy-19-oxo-, (3-beta)-
  • NSC 87315
  • Pachygenin-3-acetate

Systematic Name

  • Carda-5,20(22)-dienolide, 3-beta,14-dihydroxy-19-oxo-, 3-acetate

Registry Numbers

CAS Registry Number

  • 15571-07-0

System Generated Number

  • 0015571070

Structure Descriptors

InChI

1S/C25H32O6/c1-15(27)31-18-5-9-24(14-26)17(12-18)3-4-21-20(24)6-8-23(2)19(7-10-25(21,23)29)16-11-22(28)30-13-16/h3,11,14,18-21,29H,4-10,12-13H2,1-2H3/t18-,19+,20-,21+,23+,24+,25-/m0/s1

InChIKey

YXVAJWQGXKVWEN-PNALVPCQSA-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)OC(C)=O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 1869ug/kg (1.869mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 140, Pg. 8, 1962.