(17beta)-17-Hydroxy-17-Methyl-Androsta-1,4,6-Trien-3-One
[CAS# 28816-02-6]

Identification

• Name: (17beta)-17-Hydroxy-17-Methyl-Androsta-1,4,6-Trien-3-One
• Synonyms: 17-Methyl-17-Hydroxyandrosta-1,4,6-Trien-3-One; 17Alpha-Methyl-17Beta-Hydroxyandrosta-1,4,6-Trien-3-One; Androsta-1,4,6-Trien-3-One, 17-Hydroxy-17-Methyl-, (17Beta)-
• Molecular Formula: C₂₀H₂₆O₂
• Molecular Weight: 298.42
• CAS Registry Number: 28816-02-6
• SMILES: [C@H]24[C@H]1[C@@](C(O)(CC1)C)(CC[C@@H]2[C@@]3(C(=CC(=O)C=C3)C=C4)C)C
• InChI: 1S/C20H26O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4-6,9,12,15-17,22H,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20?/m1/s1
• InChIKey: KHBNWZGCDWWANS-QYLPRCTNSA-N

Properties

• Density: 1.149g/cm³ (Cal.)
• Boiling point: 453.125°C at 760 mmHg (Cal.)
• Flash point: 192.988°C (Cal.)