Roxibolone
[CAS# 60023-92-9]

Identification

• Name: Roxibolone
• Synonyms: (8S,9S,10R,11S,13S,14S,17S)-11,17-Dihydroxy-3-Keto-10,13,17-Trimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-2-Carboxylic Acid; 11Beta,17Beta-Dihydroxy-17-Methyl-3-Oxoandrosta-1,4-Dien-2Carbonsaeure; 11Beta,17Beta-Dihydroxy-17-Methyl-3-Oxoandrosta-1,4-Diene-2-Carboxylic Acid
• Molecular Formula: C₂₁H₂₈O₅
• Molecular Weight: 360.45
• CAS Registry Number: 60023-92-9
• SMILES: [C@@]12(C=C(C(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(O)C)C)O)C(O)=O)C
• InChI: 1S/C21H28O5/c1-19-9-13(18(24)25)15(22)8-11(19)4-5-12-14-6-7-21(3,26)20(14,2)10-16(23)17(12)19/h8-9,12,14,16-17,23,26H,4-7,10H2,1-3H3,(H,24,25)/t12-,14-,16-,17+,19-,20-,21-/m0/s1
• InChIKey: JOFBZBDWOWPUMO-QARKFJNLSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 572.926°C at 760 mmHg (Cal.)
• Flash point: 314.341°C (Cal.)