6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid
Properties
- Molecular formula
- C21H26F2O5
- Molar mass
- 396.43 g/mol
- Exact mass
- 396.1748 Da
- logP
- 2.37Crippen estimate
- Polar surface area
- 94.8 Ų
- H-bond donors / acceptors
- 3 / 4
- Rotatable bonds
- 1
- Stereocentres
- R, S, S, S, S, R, S, S, Rin SMILES atom order
Identifiers
CAS number
28416-82-2SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)OInChIKey
QSVBUQTYFQFEHC-IDIDPBNYSA-NInChI
InChI=1S/C21H26F2O5/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(10,28)17(26)27/h4-5,7,10,12-13,15-16,25,28H,6,8-9H2,1-3H3,(H,26,27)/t10-,12+,13+,15+,16+,18+,19+,20+,21+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Androsta-1,4-diene-17-carboxylic acid, 6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxo-, (6α,11β,16α,17α)-
- Androsta-1,4-diene-17β-carboxylic acid, 6α,9-difluoro-11β,17-dihydroxy-16α-methyl-3-oxo-
- (6α,11β,16α,17α)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid
- 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methylpregna-3-oxo-1,4-diene-17β-carboxylic acid
- 11β,17α-Dihydroxy-6α,9α-difluoro-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid
Work with 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid
Similar compounds
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds