(3R,5S,8R,9S,10S,13S,14S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-7,17-Dione
[CAS# 39201-24-6]

Identification

• Name: (3R,5S,8R,9S,10S,13S,14S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-7,17-Dione
• Synonyms: (3R,5S,8R,9S,10S,13S,14S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-7,17-Quinone; 3-Hydroxyandrostane-7,17-Dione; 3Alpha-Hydroxy-5Beta-Androstane-7,17-Dione
• Molecular Formula: C₁₉H₂₈O₃
• Molecular Weight: 304.43
• CAS Registry Number: 39201-24-6
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)CC([C@H]4[C@@H]2CCC([C@@]2(C)CC[C@H]34)=O)=O)C)O
• InChI: 1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12+,13-,14-,17-,18-,19-/m0/s1
• InChIKey: ONVVZSHYQMOXLN-HAYXEUKTSA-N

Properties

• Density: 1.153g/cm³ (Cal.)
• Boiling point: 453.413°C at 760 mmHg (Cal.)
• Flash point: 242.142°C (Cal.)