(3R,5S,8R,9S,10S,13S,14S,16S)-3,16-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[a]Phenanthren-17-One
[CAS# 66791-83-1]

Identification

• Name: (3R,5S,8R,9S,10S,13S,14S,16S)-3,16-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[a]Phenanthren-17-One
• Synonyms: 16Beta-Hydroxyandrosterone; 3-Alpha,16Beta-Dihydroxyandrostan-17-One; Androstan-17-One, 3,16-Dihydroxy-, (3Alpha,5Alpha,16Beta)-
• Molecular Formula: C₁₉H₃₀O₃
• Molecular Weight: 306.44
• CAS Registry Number: 66791-83-1
• SMILES: [C@H]13[C@@H]([C@@]2([C@@H](CC1)C[C@H](O)CC2)C)CC[C@]4([C@H]3C[C@H](O)C4=O)C
• InChI: 1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-16,20-21H,3-10H2,1-2H3/t11-,12+,13+,14-,15-,16-,18-,19-/m0/s1
• InChIKey: HLQYTKUIIJTNHH-RWUIUEHLSA-N

Properties

• Density: 1.158g/cm³ (Cal.)
• Boiling point: 454.743°C at 760 mmHg (Cal.)
• Flash point: 242.945°C (Cal.)