Androsta-1,4-diene-17-carbothioic acid, 17-(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-, S-(iodomethyl) ester, (6α,11β,16α,17α)-

CAS Registry Number®

80474-71-1
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CAS Name

Androsta-1,4-diene-17-carbothioic acid, 17-(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-, S-(iodomethyl) ester, (6α,11β,16α,17α)-

Molecular Formula

C24H29F2IO5S

Molecular Mass

594.45

Cite this Page

Androsta-1,4-diene-17-carbothioic acid, 17-(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-, S-(iodomethyl) ester, (6α,11β,16α,17α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80474-71-1 (retrieved 2024-08-03) (CAS RN: 80474-71-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H29F2IO5S/c1-12-7-15-16-9-18(25)17-8-14(29)5-6-21(17,3)23(16,26)19(30)10-22(15,4)24(12,32-13(2)28)20(31)33-11-27/h5-6,8,12,15-16,18-19,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21+,22+,23+,24+/m1/s1

InChIKey

InChIKey=OFIMGKREFBWQMK-OSNGSNEUSA-N

SMILES

C[C@@]12[C@](C(SCI)=O)(OC(C)=O)[C@H](C)C[C@]1([C@]3([C@](F)([C@@H](O)C2)[C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(OC(=O)C)(C(=O)SCI)C4(C)CC(O)C32F)C

Other Names for this Substance

  • Androsta-1,4-diene-17-carbothioic acid, 17-(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-, S-(iodomethyl) ester, (6α,11β,16α,17α)-