(8R,9S,10R,13S)-14-Hydroxy-10,13-Dimethyl-2,7,8,9,11,12,15,16-Octahydro-1H-Cyclopenta[a]Phenanthrene-3,6,17-Trione
[CAS 120051-39-0]

Identification

• Name: (8R,9S,10R,13S)-14-Hydroxy-10,13-Dimethyl-2,7,8,9,11,12,15,16-Octahydro-1H-Cyclopenta[a]Phenanthrene-3,6,17-Trione
• Synonyms: 14-Haet; 14-Hydroxyandrost-4-Ene-3,6,17-Trione; 14-Ohat
• Molecular Formula: C₁₉H₂₄O₄
• Molecular Weight: 316.40
• CAS Registry Number: 120051-39-0
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)CC1)C(=O)C2)C)CC[C@]4(C3(O)CCC4=O)C
• InChI: 1S/C19H24O4/c1-17-6-3-11(20)9-14(17)15(21)10-13-12(17)4-7-18(2)16(22)5-8-19(13,18)23/h9,12-13,23H,3-8,10H2,1-2H3/t12-,13+,17+,18+,19?/m0/s1
• InChIKey: UKVVNEHFNYKGMX-WHMNXGKUSA-N

Properties

• Density: 1.266g/cm³ (Cal.)
• Boiling point: 497.924°C at 760 mmHg (Cal.)
• Flash point: 269.031°C (Cal.)