Basic information
- Name:
Androsta-1,4-diene-17-carbothioicacid, 6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxo-, (6a,11b,16a,17a)-
- Superlist Name:
- (6a,11b,16a,17a)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioic acid
- CAS No.:
80473-92-3
- Molecular Structure:
- Formula:
- C21H26 F2 O4 S
- Molecular Weight:
- 0
- Synonyms:
- 6a,9a-Difluoro-11b,17a-dihydroxy-16a-methyl-3-oxoandrosta-1,4-diene-17b-carbothioic acid
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Chemistry
Molecule structure of (6a,11b,16a,17a)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioic acid (CAS NO.80473-92-3):
Systematic Name: (8S,10S,11S,13S)-6,9-Difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid
Molecular Formula: C21H26F2O4S
Molecular Weight: 412.49 g/mol
CAS Registry Number: 80473-92-3
Index of Refraction: 1.59
Molar Refractivity: 102.024 cm3
Molar Volume: 302.404 cm3
Polarizability: 40.445×10-24 cm3
Surface Tension: 52.852 dyne/cm
Density: 1.364 g/cm3
Flash Point: 286.431 °C
Enthalpy of Vaporization: 95.404 kJ/mol
Boiling Point: 550.003 °C at 760 mmHg
SMILES: CC1CC2[C@@H]3CC(C4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2(C1(C(=O)S)O)C)O)F)C)F
InChI: InChI=1/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/m0/s1
InChIKey: GLAJUXBOZSWZMM-LJQHXTPVBN
Std. 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-,20,21m0/s1
Std. InChIKey of (6a,11b,16a,17a)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioic acid (CAS NO.80473-92-3): GLAJUXBOZSWZMM-LJQHXTPVSA-N
Specification
(6a,11b,16a,17a)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioic acid (CAS NO.80473-92-3) is also named as (8S,10S,11S,13S)-6,9-Difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid ; Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxo-, (6a,11b,16a,17a)- ; 11,17-dihydroxy-16-methyl-3-oxo-,(6α,11β,16α,17α)- ; Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro- ; 6a,9a-Difluoro-11b,17a-dihydroxy-16a-methyl-3-oxoandrosta-1,4-diene-17b-carbothioic acid .
