(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-Ethyl-6-Methylideneoct-3-En-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 159934-00-6]

Identification

• Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-Ethyl-6-Methylideneoct-3-En-2-Yl]-10,13-Dimethyl-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-[(E,1R,4R)-4-Ethyl-1-Methyl-5-Methylene-Hept-2-Enyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4R)-4-Ethyl-1-Methyl-5-Methylenehept-2-Enyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,2E,4R)-4,5-Diethyl-1-Methyl-Hexa-2,5-Dienyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₃₀H₄₈O
• Molecular Weight: 424.71
• CAS Registry Number: 159934-00-6
• SMILES: [C@]24([C@H]([C@@H]1CC=C3[C@@]([C@H]1CC2)(CC[C@H](O)C3)C)CC[C@@H]4[C@@H](/C=C/[C@H](C(=C)CC)CC)C)C
• InChI: 1S/C30H48O/c1-7-20(3)22(8-2)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h9-11,21-22,24-28,31H,3,7-8,12-19H2,1-2,4-6H3/b10-9+/t21-,22-,24+,25+,26-,27+,28+,29+,30-/m1/s1
• InChIKey: SFQXJRUERXRORW-LVVYUBKHSA-N

Properties

• Density: 0.992g/cm³ (Cal.)
• Boiling point: 517.569°C at 760 mmHg (Cal.)
• Flash point: 225.805°C (Cal.)