(8S,10R,13S)-13-Ethyl-17-ethynyl-11-methylene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
[CAS# 869627-85-0]

Identification

• Name: (8S,10R,13S)-13-Ethyl-17-ethynyl-11-methylene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
• Synonyms: 3(R,S)-Hydroxy Desogestrel
• Molecular Formula: C₂₂H₃₀O₂
• Molecular Weight: 326.47
• CAS Registry Number: 869627-85-0
• SMILES: CC[C@]12CC(=C)C3[C@H](C1CCC2(C#C)O)CCC4=CC(CC[C@H]34)O
• InChI: 1S/C22H30O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,16-20,23-24H,3-4,6-11,13H2,1H3/t16?,17-,18-,19?,20?,21-,22?/m0/s1
• InChIKey: ZMLDTNLDYRJTAZ-MTRZUGBVSA-N

Properties

• Density: 1.139g/cm³ (Cal.)
• Boiling point: 470.449°C at 760 mmHg (Cal.)
• Flash point: 210.624°C (Cal.)
• Refractive index: 1.582 (Cal.)