6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carbothioic acid
CAS Registry Number®
80473-92-3
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CAS Name
6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carbothioic acidMolecular Formula
C21H26F2O4SMolecular Mass
412.49Cite this Page
6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carbothioic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=80473-92-3 (retrieved ) (CAS RN: 80473-92-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
230-231 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H26F2O4S/c1-10-6-12-13-8-15(22)14-7-11(24)4-5-18(14,2)20(13,23)16(25)9-19(12,3)21(10,27)17(26)28/h4-5,7,10,12-13,15-16,25,27H,6,8-9H2,1-3H3,(H,26,28)/t10-,12+,13+,15+,16+,18+,19+,20+,21+/m1/s1
InChIKey
InChIKey=GLAJUXBOZSWZMM-IDIDPBNYSA-N
SMILES
C[C@@]12[C@]([C@]3([C@](F)([C@@H](O)C1)[C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[H])(C[C@@H](C)[C@@]2(C(=O)S)O)[H]
Canonical SMILES
O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)S)C4(C)CC(O)C32F)C
Other Names for this Substance
- Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxo-, (6α,11β,16α,17α)-
- (6α,11β,16α,17α)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioic acid
- 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carbothioic acid
