(3S,5S,8R,9S,10S,13R,14S,16S)-3-Methoxy-10,13-Dimethyl-2,3,4,5,6,7,8,9 ,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-16-Ol
[CAS# 7642-97-9]

Identification

• Name: (3S,5S,8R,9S,10S,13R,14S,16S)-3-Methoxy-10,13-Dimethyl-2,3,4,5,6,7,8,9 ,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-16-Ol
• Synonyms: Nsc51172
• Molecular Formula: C₂₀H₃₄O₂
• Molecular Weight: 306.49
• CAS Registry Number: 7642-97-9
• SMILES: [C@]14(C[C@@H](O)C[C@H]1[C@H]3[C@@H]([C@]2(C)[C@H](C[C@H](CC2)OC)CC3)CC4)C
• InChI: 1S/C20H34O2/c1-19-8-7-17-16(18(19)11-14(21)12-19)5-4-13-10-15(22-3)6-9-20(13,17)2/h13-18,21H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,18-,19+,20-/m0/s1
• InChIKey: GTOPOWFQBKMBIX-SQTHQVPUSA-N

Properties

• Density: 1.055g/cm³ (Cal.)
• Boiling point: 399.434°C at 760 mmHg (Cal.)
• Flash point: 158.171°C (Cal.)