17beta-Hydroxy-1alpha-Methyl-5-alpha-androstan-3-One Acetate
[CAS# 4062-46-8]

Identification

• Name: 17beta-Hydroxy-1alpha-Methyl-5-alpha-androstan-3-One Acetate
• Synonyms: Acetic Acid [(1S,5S,8R,9S,10S,13S,14S,17S)-1,10,13-Trimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(1S,5S,8R,9S,10S,13S,14S,17S)-3-Keto-1,10,13-Trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(1S,5S,8R,9S,10S,13S,14S,17S)-1,10,13-Trimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₂H₃₄O₃
• Molecular Weight: 346.51
• CAS Registry Number: 4062-46-8
• EINECS: 223-768-0
• SMILES: [C@]34([C@@H]2[C@H]([C@H]1[C@@]([C@@H](OC(=O)C)CC1)(CC2)C)CC[C@H]3CC(C[C@@H]4C)=O)C
• InChI: 1S/C22H34O3/c1-13-11-16(24)12-15-5-6-17-18-7-8-20(25-14(2)23)21(18,3)10-9-19(17)22(13,15)4/h13,15,17-20H,5-12H2,1-4H3/t13-,15-,17-,18-,19-,20-,21-,22-/m0/s1
• InChIKey: ZWCXCOXAEJHAHA-FVFBOZGUSA-N

Properties

• Density: 1.085g/cm³ (Cal.)
• Boiling point: 432.559°C at 760 mmHg (Cal.)
• Flash point: 185.37°C (Cal.)