(10S,13R,14R,17R)-4,4,10,13,14-Pentamethyl-17-[(2R)-6-Methyl-5-Methylideneheptan-2-Yl]-1,2,5,6,7,11,12,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-One
[CAS# 118492-82-3]

Identification

• Name: (10S,13R,14R,17R)-4,4,10,13,14-Pentamethyl-17-[(2R)-6-Methyl-5-Methylideneheptan-2-Yl]-1,2,5,6,7,11,12,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (10S,13R,14R,17R)-17-[(1R)-1,5-Dimethyl-4-Methylene-Hexyl]-4,4,10,13,14-Pentamethyl-1,2,5,6,7,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-One; (10S,13R,14R,17R)-17-[(1R)-1,5-Dimethyl-4-Methylenehexyl]-4,4,10,13,14-Pentamethyl-1,2,5,6,7,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-One; (10S,13R,14R,17R)-17-[(1R)-4-Isopropyl-1-Methyl-Pent-4-Enyl]-4,4,10,13,14-Pentamethyl-1,2,5,6,7,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₃₁H₅₀O
• Molecular Weight: 438.74
• CAS Registry Number: 118492-82-3
• SMILES: [C@@]34(C2=C([C@]1(CCC(C(C1CC2)(C)C)=O)C)CC[C@@]3([C@@H]([C@@H](CCC(=C)C(C)C)C)CC4)C)C
• InChI: 1S/C31H50O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h20,22-23,26H,3,10-19H2,1-2,4-9H3/t22-,23-,26?,29-,30-,31+/m1/s1
• InChIKey: HCVPIOTWCPCBAF-XCRJKQHMSA-N

Properties

• Density: 0.976g/cm³ (Cal.)
• Boiling point: 504.005°C at 760 mmHg (Cal.)
• Flash point: 208.423°C (Cal.)