(3beta,16beta,17alpha)-10,17-Dimethyl-17-{(1S)-1-[(2S)-5-Methyl-2-Piperidinyl]Ethyl}Gona-5,12-Diene-3,16-Diol
[CAS# 17155-31-6]

Identification

• Name: (3beta,16beta,17alpha)-10,17-Dimethyl-17-{(1S)-1-[(2S)-5-Methyl-2-Piperidinyl]Ethyl}Gona-5,12-Diene-3,16-Diol
• Molecular Formula: C₂₇H₄₃NO₂
• Molecular Weight: 413.64
• CAS Registry Number: 17155-31-6
• SMILES: O[C@@H]2C/C1=C/C[C@@H]5[C@@H]([C@@]1(C)CC2)C/C=C4/[C@@]([C@@H]([C@H]3NCC(C)CC3)C)(C)[C@@H](O)C[C@H]45
• InChI: 1S/C27H43NO2/c1-16-5-10-24(28-15-16)17(2)27(4)23-9-8-22-20(21(23)14-25(27)30)7-6-18-13-19(29)11-12-26(18,22)3/h6,9,16-17,19-22,24-25,28-30H,5,7-8,10-15H2,1-4H3/t16?,17-,19+,20+,21+,22+,24+,25+,26+,27+/m1/s1
• InChIKey: DMLNDBOUFBIGIL-IHFPDZHPSA-N

Properties

• Density: 1.114g/cm³ (Cal.)
• Boiling point: 556.433°C at 760 mmHg (Cal.)
• Flash point: 71.362°C (Cal.)
• Refractive index: 1.576 (Cal.)