(5S,8S,9S,10S,13S,14S)-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-One
[CAS# 1224-95-9]

Identification

• Name: (5S,8S,9S,10S,13S,14S)-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: 5Alpha-Androstan-3-One; 5Alpha-Androstan-3-One (8Ci); Androstan-3-One, (5Alpha)- (9Ci)
• Molecular Formula: C₁₉H₃₀O
• Molecular Weight: 274.45
• CAS Registry Number: 1224-95-9
• SMILES: [C@@H]23[C@H]([C@H]1[C@](CCC1)(C)CC2)CC[C@@H]4[C@@]3(CCC(C4)=O)C
• InChI: 1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1
• InChIKey: VMNRNUNYBVFVQI-QYXZOKGRSA-N

Properties

• Density: 1.014g/cm³ (Cal.)
• Boiling point: 368.451°C at 760 mmHg (Cal.)
• Flash point: 168.673°C (Cal.)