(1S)-1-[(8R,9S,10S,13S,14S)-13-Methyl-3,6,17-Trioxo-1,2,3,6,7,8,9,11,12,13,14,15,16,17-Tetradecahydro-10H-Cyclopenta[a]Phenanthren-10-Yl]-2-Propyn-1-Yl Acetate
[CAS# 147900-22-9]

Identification

• Name: (1S)-1-[(8R,9S,10S,13S,14S)-13-Methyl-3,6,17-Trioxo-1,2,3,6,7,8,9,11,12,13,14,15,16,17-Tetradecahydro-10H-Cyclopenta[a]Phenanthren-10-Yl]-2-Propyn-1-Yl Acetate
• Synonyms: 19-ethynyl-19-acetoxyandrost-4-ene-3,6,17-trione
• Molecular Formula: C₂₃H₂₆O₅
• Molecular Weight: 382.45
• CAS Registry Number: 147900-22-9
• SMILES: CC(=O)OC(C#C)[C@]41CCC(=O)\C=C4\C(=O)C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]12
• InChI: 1S/C23H26O5/c1-4-21(28-13(2)24)23-10-7-14(25)11-18(23)19(26)12-15-16-5-6-20(27)22(16,3)9-8-17(15)23/h1,11,15-17,21H,5-10,12H2,2-3H3/t15-,16-,17-,21?,22-,23-/m0/s1
• InChIKey: OTBPDDRBTVTJBK-LGOFAFLGSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 555.651°C at 760 mmHg (Cal.)
• Flash point: 241.913°C (Cal.)
• Refractive index: 1.567 (Cal.)