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Substance Name: 5-beta,14-beta-Pregnan-20-one, 3-beta,5,14,19,21-pentahydroxy-, 3,19,21-triacetate
RN: 19886-65-8
InChIKey: ZTWWQCOHUBHIGI-QNFQAGAISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H40-O9

Molecular Weight

  • 508.604
 
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Names and Synonyms

Synonyms

  • 3-beta,19,21-Triacetoxy-14-iso-17-isopregnane-5,14-diol-20-one
  • 3-beta,5-beta,14-beta,19,21-Pentahydroxypregnan-20-one 3,19,21-triacetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 19886-65-8

System Generated Number

  • 0019886658

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-QNFQAGAISA-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 15590ug/kg (15.59mg/kg)   Journal of Pharmaceutical Sciences. Vol. 57, Pg. 1450, 1968.