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Substance Name: 14-beta,17-alpha-Pregnan-20-one, 3-beta,5-beta,14,19,21-pentahydroxy-, 3,19,21-triacetate
RN: 19548-71-1
InChIKey: ZTWWQCOHUBHIGI-HSJDTFTJSA-N

Molecular Formula

  • C27-H40-O9

Molecular Weight

  • 508.604
 
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Names and Synonyms

Synonym

  • 14-beta,17-alpha-Pregnane-3-beta,5-beta,14,19,21-pentol, 20-oxo-, 3,19,21-triacetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 19548-71-1

System Generated Number

  • 0019548711

Structure Descriptors

InChI

1S/C27H40O9/c1-16(28)34-14-23(31)22-8-12-27(33)21-7-11-26(32)13-19(36-18(3)30)5-10-25(26,15-35-17(2)29)20(21)6-9-24(22,27)4/h19-22,32-33H,5-15H2,1-4H3/t19-,20-,21+,22-,24+,25-,26-,27-/m0/s1

InChIKey

ZTWWQCOHUBHIGI-HSJDTFTJSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 16mg/kg (16mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 657, 1970.