Cholesteryl 2-Propyn-1-Yl Carbonate
[CAS# 33985-07-8]

Identification

• Name: Cholesteryl 2-Propyn-1-Yl Carbonate
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Prop-2-Ynyl Carbonate; Carbonic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Prop-2-Ynyl Ester; Carbonic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Propargyl Ester
• Molecular Formula: C₃₁H₄₈O₃
• Molecular Weight: 468.72
• CAS Registry Number: 33985-07-8
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(OCC#C)=O)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C31H48O3/c1-7-19-33-29(32)34-24-15-17-30(5)23(20-24)11-12-25-27-14-13-26(22(4)10-8-9-21(2)3)31(27,6)18-16-28(25)30/h1,11,21-22,24-28H,8-10,12-20H2,2-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1
• InChIKey: LLAMZFUXJMSJTD-GTPODGLVSA-N