[(8S,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-1-Yl] 4-Dimethylaminobutanoate
[CAS# 147072-42-2]

Identification

• Name: [(8S,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-1-Yl] 4-Dimethylaminobutanoate
• Synonyms: testosteronyl 4-dimethylaminobutyrate
• Molecular Formula: C₂₅H₃₉NO₄
• Molecular Weight: 417.58
• CAS Registry Number: 147072-42-2
• SMILES: CN(C)CCCC(=O)OC3CC(=O)/C=C2/CC[C@H]1[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]1[C@]23C
• InChI: 1S/C25H39NO4/c1-24-12-11-20-18(19(24)9-10-21(24)28)8-7-16-14-17(27)15-22(25(16,20)2)30-23(29)6-5-13-26(3)4/h14,18-22,28H,5-13,15H2,1-4H3/t18-,19-,20-,21-,22?,24-,25-/m0/s1
• InChIKey: MDAAYVAQNFZDJG-WVBRLFSISA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 546.775°C at 760 mmHg (Cal.)
• Flash point: 284.479°C (Cal.)
• Refractive index: 1.553 (Cal.)