(3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-Ethyl-7-Methyl-6-Methylideneoctan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 129620-23-1]

Identification

• Name: (3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-Ethyl-7-Methyl-6-Methylideneoctan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,5S,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-Ethyl-1,6-Dimethyl-5-Methylene-Heptyl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,5S,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-Ethyl-1,6-Dimethyl-5-Methyleneheptyl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,5S,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-Ethyl-5-Isopropyl-1-Methyl-Hex-5-Enyl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₃₁H₅₂O
• Molecular Weight: 440.75
• CAS Registry Number: 129620-23-1
• SMILES: [C@]34([C@H](C2=CC[C@H]1C[C@@H](O)CC[C@@]1([C@H]2CC3)C)CC[C@@H]4[C@@H](CC[C@H](C(=C)C(C)C)CC)C)C
• InChI: 1S/C31H52O/c1-8-23(22(5)20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(32)15-17-30(24,6)29(26)16-18-31(27,28)7/h12,20-21,23-25,27-29,32H,5,8-11,13-19H2,1-4,6-7H3/t21-,23-,24+,25+,27-,28+,29+,30+,31-/m1/s1
• InChIKey: ALRMQDKADQHRGT-BARFHZGGSA-N

Properties

• Density: 0.976g/cm³ (Cal.)
• Boiling point: 522.329°C at 760 mmHg (Cal.)
• Flash point: 230.276°C (Cal.)