Descinolone
[CAS# 595-52-8]

Identification

• Name: Descinolone
• Synonyms: (8S,9R,10S,11S,13S,14S,16R,17S)-17-Ethanoyl-9-Fluoro-11,16,17-Trihydroxy-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; Descinolone; Nsc70646
• Molecular Formula: C₂₁H₂₇FO₅
• Molecular Weight: 378.44
• CAS Registry Number: 595-52-8
• 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](O)C4)C(=O)C)C
• InChI: 1S/C21H27FO5/c1-11(23)21(27)16(25)9-15-14-5-4-12-8-13(24)6-7-18(12,2)20(14,22)17(26)10-19(15,21)3/h6-8,14-17,25-27H,4-5,9-10H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21+/m0/s1
• InChIKey: DYCBAFABWCTLEN-PMVIMZBYSA-N

Properties

• Density: 1.351g/cm³ (Cal.)
• Boiling point: 544.537°C at 760 mmHg (Cal.)
• Flash point: 283.126°C (Cal.)