N-Butyl-8-[(13S,17R)-3,17-Dihydroxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]-N-Methyloct-7-Ynamide
[CAS# 131811-66-0]

Identification

• Name: N-Butyl-8-[(13S,17R)-3,17-Dihydroxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]-N-Methyloct-7-Ynamide
• Synonyms: N-Butyl-8-[(13S,17R)-3,17-Dihydroxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-N-Methyl-Oct-7-Ynamide; N-Butyl-8-((17Beta)-3,17-Dihydroxyestra-1,3,5(10)-Trien-17-Yl)-N-Methyl-7-Octynamide; 7-Octynamide, N-Butyl-8-((17Beta)-3,17-Dihydroxyestra-1,3,5(10)-Trien-17-Yl)-N-Methyl-
• Molecular Formula: C₃₁H₄₅NO₃
• Molecular Weight: 479.70
• CAS Registry Number: 131811-66-0
• SMILES: [C@]14([C@](O)(CCC1C2C(C3=C(CC2)C=C(O)C=C3)CC4)C#CCCCCCC(=O)N(CCCC)C)C
• InChI: 1S/C31H45NO3/c1-4-5-21-32(3)29(34)11-9-7-6-8-10-18-31(35)20-17-28-27-14-12-23-22-24(33)13-15-25(23)26(27)16-19-30(28,31)2/h13,15,22,26-28,33,35H,4-9,11-12,14,16-17,19-21H2,1-3H3/t26?,27?,28?,30-,31+/m0/s1
• InChIKey: NMMIXYWKLSLKMM-HATTXFEFSA-N