(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-Propan-2-Yl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 1042-59-7]

Identification

• Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-Propan-2-Yl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-Isopropyl-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 20-Methyl-5-Pregnen-3Beta-Ol; 20-Methylpregn-5-En-3Beta-Ol
• Molecular Formula: C₂₂H₃₆O
• Molecular Weight: 316.53
• CAS Registry Number: 1042-59-7
• SMILES: [C@]24([C@H]([C@@H]1CC=C3[C@@]([C@H]1CC2)(CC[C@H](O)C3)C)CC[C@@H]4C(C)C)C
• InChI: 1S/C22H36O/c1-14(2)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,3)20(17)10-12-22(18,19)4/h5,14,16-20,23H,6-13H2,1-4H3/t16-,17-,18+,19-,20-,21-,22+/m0/s1
• InChIKey: COSKITFSCAETCX-BIBIXIOVSA-N

Properties

• Density: 1.021g/cm³ (Cal.)
• Boiling point: 418.599°C at 760 mmHg (Cal.)
• Flash point: 178.122°C (Cal.)