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Substance Name: 5-beta,14-beta,17-alpha-Pregnan-20-one, 3-beta,14,21-trihydroxy-, 3-acetate, 21-acrylate
RN: 67462-32-2
InChIKey: LEIGTUZLBHBSPM-JHOXUQFISA-N

Molecular Formula

  • C26-H38-O6

Molecular Weight

  • 446.5802
 
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Names and Synonyms

Synonyms

  • 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-acrylate
  • BRN 2490616

Systematic Name

  • 5-beta,14-beta,17-alpha-Pregnan-20-one, 3-beta,14,21-trihydroxy-, 3-acetate, 21-acrylate

Registry Numbers

CAS Registry Number

  • 67462-32-2

System Generated Number

  • 0067462322

Structure Descriptors

InChI

1S/C26H38O6/c1-5-23(29)31-15-22(28)21-10-13-26(30)20-7-6-17-14-18(32-16(2)27)8-11-24(17,3)19(20)9-12-25(21,26)4/h5,17-21,30H,1,6-15H2,2-4H3/t17-,18+,19+,20-,21+,24+,25-,26+/m1/s1

InChIKey

LEIGTUZLBHBSPM-JHOXUQFISA-N

Smiles

CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C(=O)COC(=O)C=C)O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 6mg/kg (6mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 657, 1970.