(17R)-3-(Dimethylsulfamoyloxy)-13-Ethyl-18,19-Dinorpregna-1,3,5(10)-Trien-20-Yn-17-Ol
[CAS# 65323-80-0]

Identification

• Name: (17R)-3-(Dimethylsulfamoyloxy)-13-Ethyl-18,19-Dinorpregna-1,3,5(10)-Trien-20-Yn-17-Ol
• Synonyms: N,N-Dimethylsulfamic Acid [(8R,9S,14S)-13-Ethyl-17-Ethynyl-17-Hydroxy-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 18,19-Dinorpregna-1,3,5(10)-Triene-20-Yne-3,17-Diol, 13-Ethyl-, 3-(Dimethylsulfamate), (17-Alpha)-; J 628
• Molecular Formula: C₂₃H₃₁NO₄S
• Molecular Weight: 417.56
• CAS Registry Number: 65323-80-0
• SMILES: [C@H]12C(C(O)(CC1)C#C)(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O[S](=O)(=O)N(C)C)CC
• InChI: 1S/C23H31NO4S/c1-5-22-13-11-19-18-10-8-17(28-29(26,27)24(3)4)15-16(18)7-9-20(19)21(22)12-14-23(22,25)6-2/h2,8,10,15,19-21,25H,5,7,9,11-14H2,1,3-4H3/t19-,20-,21+,22?,23?/m1/s1
• InChIKey: ZBACBJUPJKFZST-OKXYMDNISA-N