(2S,5S,8S,9S,10S,13S,14S,17S)-17-Hydroxy-2-(Methoxymethyl)-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-One
[CAS# 6945-90-0]

Identification

• Name: (2S,5S,8S,9S,10S,13S,14S,17S)-17-Hydroxy-2-(Methoxymethyl)-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: Nsc53037; 17Beta-Hydroxy-2Alpha-(Methoxymethyl)-5Alpha-Androstan-3-One; C14978
• Molecular Formula: C₂₁H₃₄O₃
• Molecular Weight: 334.50
• CAS Registry Number: 6945-90-0
• SMILES: [C@H]4([C@]3(CC[C@H]1[C@@H](CC[C@@H]2[C@@]1(C[C@H](C(C2)=O)COC)C)[C@@H]3CC4)C)O
• InChI: 1S/C21H34O3/c1-20-9-8-17-15(16(20)6-7-19(20)23)5-4-14-10-18(22)13(12-24-3)11-21(14,17)2/h13-17,19,23H,4-12H2,1-3H3/t13-,14-,15-,16-,17-,19-,20-,21-/m0/s1
• InChIKey: TXOICHCTMJMZFA-NSFMUAGPSA-N

Properties

• Density: 1.074g/cm³ (Cal.)
• Boiling point: 445.285°C at 760 mmHg (Cal.)
• Flash point: 148.702°C (Cal.)