17-beta-Hydroxyandrost-4-En-3-One Nicotinate
[CAS# 668-56-4]

Identification

• Name: 17-beta-Hydroxyandrost-4-En-3-One Nicotinate
• Synonyms: 3-Pyridinecarboxylic Acid [(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Nicotinic Acid [(8R,9S,10R,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; 17-Beta-Hydroxyandrost-4-En-3-One Nicotinate
• Molecular Formula: C₂₅H₃₁NO₃
• Molecular Weight: 393.52
• CAS Registry Number: 668-56-4
• EINECS: 211-572-8
• SMILES: [C@H]35[C@H]2[C@@]([C@@H](OC(=O)C1=CN=CC=C1)CC2)(CC[C@@H]3[C@@]4(C(=CC(=O)CC4)CC5)C)C
• InChI: 1S/C25H31NO3/c1-24-11-9-18(27)14-17(24)5-6-19-20-7-8-22(25(20,2)12-10-21(19)24)29-23(28)16-4-3-13-26-15-16/h3-4,13-15,19-22H,5-12H2,1-2H3/t19-,20-,21-,22-,24-,25-/m0/s1
• InChIKey: KHRRLLSDLVLEIT-BKWLFHPQSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 529.099°C at 760 mmHg (Cal.)
• Flash point: 273.79°C (Cal.)