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Substance Name: 14-beta,17-alpha-Pregnan-20-one, 3-beta,5-beta,14,19,21-pentahydroxy-, 21-chloroacetate, 3,19-diacetate
RN: 28008-41-5
InChIKey: KGXNGYJKSIVBJG-YKJLZJSLSA-N

Molecular Formula

  • C27-H39-Cl-O9

Molecular Weight

  • 543.049
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 28008-41-5

System Generated Number

  • 0028008415

Structure Descriptors

InChI

1S/C27H39ClO9/c1-16(29)36-15-25-9-4-18(37-17(2)30)12-26(25,33)10-6-20-19(25)5-8-24(3)21(7-11-27(20,24)34)22(31)14-35-23(32)13-28/h18-21,33-34H,4-15H2,1-3H3/t18-,19-,20+,21-,24+,25-,26-,27-/m0/s1

InChIKey

KGXNGYJKSIVBJG-YKJLZJSLSA-N

Smiles

C1[C@@H](C[C@@]2(CC[C@H]3[C@@]4(CC[C@H](C(COC(CCl)=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 2mg/kg (2mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 657, 1970.