[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl] Hexanoate
[CAS# 10312-45-5]

Identification

• Name: [(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl] Hexanoate
• Synonyms: Hexanoic Acid [(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Hexanoic Acid [(8R,9S,10R,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₅H₃₈O₃
• Molecular Weight: 386.57
• CAS Registry Number: 10312-45-5
• EINECS: 233-690-9
• SMILES: [C@H]24[C@H]1[C@@]([C@@H](OC(=O)CCCCC)CC1)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)CC4)C)C
• InChI: 1S/C25H38O3/c1-4-5-6-7-23(27)28-22-11-10-20-19-9-8-17-16-18(26)12-14-24(17,2)21(19)13-15-25(20,22)3/h16,19-22H,4-15H2,1-3H3/t19-,20-,21-,22-,24-,25-/m0/s1
• InChIKey: WIGTZVOQGIFMAV-BKWLFHPQSA-N

Properties

• Density: 1.075g/cm³ (Cal.)
• Boiling point: 491.822°C at 760 mmHg (Cal.)
• Flash point: 209.923°C (Cal.)