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Substance Name: 14-beta,17-alpha-Pregnan-20-one, 3-beta,5-beta,14,19,21-pentahydroxy-, 21-acrylate, 3,19-diacetate
RN: 67463-05-2
InChIKey: YSBWPWHDJNENGC-FZIBMAEXSA-N

Molecular Formula

  • C28-H38-O9

Molecular Weight

  • 520.615
 
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Names and Synonyms

  • 14-beta,17-alpha-Pregnan-20-one, 3-beta,5-beta,14,19,21-pentahydroxy-, 21-acrylate, 3,19-diacetate

Registry Numbers

CAS Registry Number

  • 67463-05-2

System Generated Number

  • 0067463052

Structure Descriptors

InChI

1S/C28H40O9/c1-5-24(32)35-15-23(31)22-9-13-28(34)21-8-12-27(33)14-19(37-18(3)30)6-11-26(27,16-36-17(2)29)20(21)7-10-25(22,28)4/h5,19-22,33-34H,1,6-16H2,2-4H3/t19-,20-,21+,22-,25+,26-,27-,28-/m0/s1

InChIKey

YSBWPWHDJNENGC-FZIBMAEXSA-N

Smiles

CC(=O)OC[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C(=O)COC(=O)C=C)O)C)O)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 4mg/kg (4mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 657, 1970.