Doxibetasol
[CAS# 1879-77-2]

Identification

• Name: Doxibetasol
• Synonyms: (8S,9R,10S,11S,13S,14S,16S,17R)-17-Ethanoyl-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; 9-Fluoro-11Beta,17-Dihydroxy-16Beta-Methylpregna-1,4-Diene-3,20-Dione; Doxibetasol
• Molecular Formula: C₂₂H₂₉FO₄
• Molecular Weight: 376.47
• CAS Registry Number: 1879-77-2
• EINECS: 217-535-2
• SMILES: [C@H]34[C@H]2[C@@](F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)([C@H](C4)C)C(=O)C)C
• InChI: 1S/C22H29FO4/c1-12-9-17-16-6-5-14-10-15(25)7-8-19(14,3)21(16,23)18(26)11-20(17,4)22(12,27)13(2)24/h7-8,10,12,16-18,26-27H,5-6,9,11H2,1-4H3/t12-,16-,17-,18-,19-,20-,21-,22-/m0/s1
• InChIKey: IKGBPSZWCRRUQS-DTAAKRQUSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 527.117°C at 760 mmHg (Cal.)
• Flash point: 272.591°C (Cal.)