(2S,8R,9S,10S,13S,14S)-2-Hydroxy-13-Methyl-3,17-Dioxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthrene-10-Carbaldehyde
[CAS# 54592-52-8]

Identification

• Name: (2S,8R,9S,10S,13S,14S)-2-Hydroxy-13-Methyl-3,17-Dioxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthrene-10-Carbaldehyde
• Synonyms: (2S,8R,9S,10S,13S,14S)-2-Hydroxy-13-Methyl-3,17-Dioxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; (2S,8R,9S,10S,13S,14S)-2-Hydroxy-3,17-Diketo-13-Methyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; 2-Bhoad
• Molecular Formula: C₁₉H₂₄O₄
• Molecular Weight: 316.40
• CAS Registry Number: 54592-52-8
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)[C@@H](O)C1)CC2)C=O)CC[C@]4([C@H]3CCC4=O)C
• InChI: 1S/C19H24O4/c1-18-7-6-14-12(13(18)4-5-17(18)23)3-2-11-8-15(21)16(22)9-19(11,14)10-20/h8,10,12-14,16,22H,2-7,9H2,1H3/t12-,13-,14-,16-,18-,19+/m0/s1
• InChIKey: PTGIVKYRXURANS-GZOOHYFNSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 516.822°C at 760 mmHg (Cal.)
• Flash point: 280.448°C (Cal.)