(3beta,5alpha,6beta)-3-(Acetyloxy)-6-Hydroxy-Androstan-17-One-19-D
[CAS# 6800-25-5]

Identification

• Name: (3beta,5alpha,6beta)-3-(Acetyloxy)-6-Hydroxy-Androstan-17-One-19-D
• Synonyms: Acetic Acid [(3S,5S,6R,8R,9S,10R,13S,14S)-10-(Deuteriomethyl)-6-Hydroxy-13-Methyl-17-Oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3S,5S,6R,8R,9S,10R,13S,14S)-10-(Deuteriomethyl)-6-Hydroxy-17-Keto-13-Methyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5S,6R,8R,9S,10R,13S,14S)-10-(Deuteriomethyl)-6-Hydroxy-13-Methyl-17-Oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₂₁H₃₁DO₄
• Molecular Weight: 349.49
• CAS Registry Number: 6800-25-5
• SMILES: [C@@H]1(CC[C@]3([C@H](C1)[C@@H](C[C@H]4[C@@H]2CCC([C@@]2(C)CC[C@H]34)=O)O)C[2H])OC(=O)C
• InChI: 1S/C21H32O4/c1-12(22)25-13-6-8-20(2)16-7-9-21(3)15(4-5-19(21)24)14(16)11-18(23)17(20)10-13/h13-18,23H,4-11H2,1-3H3/t13-,14-,15-,16-,17+,18+,20+,21-/m0/s1/i2D
• InChIKey: CSIYEPLOFBQQOZ-MYVZEITOSA-N

Properties

• Density: 1.163g/cm³ (Cal.)
• Boiling point: 462.573°C at 760 mmHg (Cal.)
• Flash point: 155.805°C (Cal.)