(6R)-6-[(3S,5S,6S,8S,10S,13R,14S,17R)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Methylhept-2-En-4-One
[CAS# 36564-29-1]

Identification

• Name: (6R)-6-[(3S,5S,6S,8S,10S,13R,14S,17R)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Methylhept-2-En-4-One
• Synonyms: (6R)-6-[(3S,5S,6S,8S,10S,13R,14S,17R)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Hept-2-En-4-One; (3Beta,5Alpha,6Alpha)-3,6-Dihydroxy-Cholesta-9(11),24-Dien-23-One; 3-Beta,6Alpha-Dihydroxy-5Alpha-Cholesta-9(11),24-Dien-23-One
• Molecular Formula: C₂₇H₄₂O₃
• Molecular Weight: 414.63
• CAS Registry Number: 36564-29-1
• SMILES: [C@@H]4([C@@H](CC(C=C(C)C)=O)C)[C@@]3([C@H]([C@@H]2C[C@@H]([C@H]1C[C@H](CC[C@@]1(C2=CC3)C)O)O)CC4)C
• InChI: 1S/C27H42O3/c1-16(2)12-19(29)13-17(3)21-6-7-22-20-15-25(30)24-14-18(28)8-10-27(24,5)23(20)9-11-26(21,22)4/h9,12,17-18,20-22,24-25,28,30H,6-8,10-11,13-15H2,1-5H3/t17-,18+,20+,21-,22+,24-,25+,26-,27-/m1/s1
• InChIKey: JMTGPYQQNHOZAL-GNGILNPGSA-N

Properties

• Density: 1.095g/cm³ (Cal.)
• Boiling point: 553.98°C at 760 mmHg (Cal.)
• Flash point: 302.896°C (Cal.)