(5S,8S,9S,10S,13S,14S)-10,13-Dimethyl-4,5,6,7,8,9,12,14,15,16-Decahydrocyclopenta[a]Phenanthrene-3,11,17-Trione
[CAS 7339-06-2]

Identification

• Name: (5S,8S,9S,10S,13S,14S)-10,13-Dimethyl-4,5,6,7,8,9,12,14,15,16-Decahydrocyclopenta[a]Phenanthrene-3,11,17-Trione
• Synonyms: Androst-1-Ene-3,11,17-Trione, (5.Alpha.)-; Nsc19981; U 6970
• Molecular Formula: C₁₉H₂₄O₃
• Molecular Weight: 300.40
• CAS Registry Number: 7339-06-2
• SMILES: [C@@H]13[C@@]4([C@@H](CC[C@H]1[C@H]2[C@](C(=O)CC2)(C)CC3=O)CC(=O)C=C4)C
• InChI: 1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-8,11,13-14,17H,3-6,9-10H2,1-2H3/t11-,13-,14-,17+,18-,19-/m0/s1
• InChIKey: NYLSQMMWVJMFFO-XNTXBEAUSA-N

Properties

• Density: 1.169g/cm³ (Cal.)
• Boiling point: 462.545°C at 760 mmHg (Cal.)
• Flash point: 199.644°C (Cal.)