(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(Z,2R)-5-Propan-2-Ylhept-5-En-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 481-14-1]

Identification

• Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(Z,2R)-5-Propan-2-Ylhept-5-En-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-[(Z,1R)-4-Isopropyl-1-Methyl-Hex-4-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-[(Z,1R)-4-Isopropyl-1-Methylhex-4-Enyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; Aids-113090
• Molecular Formula: C₂₉H₄₈O
• Molecular Weight: 412.70
• CAS Registry Number: 481-14-1 (18472-36-1)
• 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](CC/C(=C/C)C(C)C)C)C
• InChI: 1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
• InChIKey: OSELKOCHBMDKEJ-WGMIZEQOSA-N

Properties

• Density: 0.99g/cm³ (Cal.)
• Melting point: 118-120°C (Expl.)
• Boiling point: 504.232°C at 760 mmHg (Cal.)
• Flash point: 220.281°C (Cal.)