(5S,8S,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-Dimethyl-4,5,6,7,8,9,11,12 ,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-2-Carbaldehyde
[CAS# 601-16-1]

Identification

• Name: (5S,8S,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-Dimethyl-4,5,6,7,8,9,11,12 ,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-2-Carbaldehyde
• Synonyms: (5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-Dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-2-Carboxaldehyde; 17-Beta-Hydroxy-5-Alpha-Androst-2-Ene-2-Carboxaldehyde; 2-Formyl-5-Alpha-Androst-2-En-17-Beta-Ol
• Molecular Formula: C₂₀H₃₀O₂
• Molecular Weight: 302.46
• CAS Registry Number: 601-16-1
• SMILES: [C@@H]13[C@H]([C@H]2[C@](CC1)([C@H](CC2)O)C)CC[C@@H]4[C@@]3(CC(=CC4)C=O)C
• InChI: 1S/C20H30O2/c1-19-10-9-17-15(16(19)7-8-18(19)22)6-5-14-4-3-13(12-21)11-20(14,17)2/h3,12,14-18,22H,4-11H2,1-2H3/t14-,15+,16+,17+,18+,19+,20+/m1/s1
• InChIKey: QKKCZNAIRYQRKP-WDCLZLQXSA-N

Properties

• Density: 1.124g/cm³ (Cal.)
• Boiling point: 429.392°C at 760 mmHg (Cal.)
• Flash point: 183.186°C (Cal.)