(3S,10S,13R,14R,17R)-3-Hydroxy-10,13-Dimethyl-17-[(E,2R)-6-Methylhept-3-En-2-Yl]-1,2,3,4,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-7-One
[CAS# 121714-74-7]

Identification

• Name: (3S,10S,13R,14R,17R)-3-Hydroxy-10,13-Dimethyl-17-[(E,2R)-6-Methylhept-3-En-2-Yl]-1,2,3,4,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-7-One
• Synonyms: (3S,10S,13R,14R,17R)-17-[(E,1R)-1,5-Dimethylhex-2-Enyl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-7-One; 3-Hcto; 3-Hydroxycholesta-5,8,22-Trien-7-One
• Molecular Formula: C₂₇H₄₀O₂
• Molecular Weight: 396.61
• CAS Registry Number: 121714-74-7
• SMILES: [C@]34(C2=C([C@@H]1CC[C@@H]([C@]1(CC2)C)[C@@H](/C=C/CC(C)C)C)C(=O)C=C3C[C@H](CC4)O)C
• InChI: 1S/C27H40O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h6,8,16-18,20-22,28H,7,9-15H2,1-5H3/b8-6+/t18-,20+,21-,22+,26+,27-/m1/s1
• InChIKey: AYNFEPVYJBGXLS-ODMVIQNVSA-N

Properties

• Density: 1.062g/cm³ (Cal.)
• Boiling point: 527.966°C at 760 mmHg (Cal.)
• Flash point: 222.892°C (Cal.)