(3S,5S,9R,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-17-[(2R)-6-Methylhept-5-En-2-Yl]-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[a]Phenanthren-15-One
[CAS# 144535-22-8]

Identification

• Name: (3S,5S,9R,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-17-[(2R)-6-Methylhept-5-En-2-Yl]-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[a]Phenanthren-15-One
• Synonyms: (3S,5S,9R,10S,13R,17R)-17-[(1R)-1,5-Dimethylhex-4-Enyl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One; 3-Hac-8,24-Dien-15-One; 3-Hydroxycholest-8(14),24-Dien-15-One
• Molecular Formula: C₂₇H₄₂O₂
• Molecular Weight: 398.63
• CAS Registry Number: 144535-22-8
• SMILES: [C@@H]13[C@@]4([C@@H](CCC1=C2[C@@]([C@H](CC2=O)[C@@H](CCC=C(C)C)C)(CC3)C)C[C@@H](O)CC4)C
• InChI: 1S/C27H42O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h7,18-20,22-23,28H,6,8-16H2,1-5H3/t18-,19+,20+,22+,23-,26+,27-/m1/s1
• InChIKey: ZAQVWQHOVZZEEC-GGVPDPBRSA-N

Properties

• Density: 1.049g/cm³ (Cal.)
• Boiling point: 519.186°C at 760 mmHg (Cal.)
• Flash point: 219.459°C (Cal.)