NCS
中国新化学物质查询
胆固醇2-丙炔基-1-YL碳酸酯(CHOLESTERYL 2-PROPYN-1-YL CARBONATE)
cholesteryl 2-propyn-1-yl carbonate, Cholest-5-en-3-ol (3beta)-,2-propynyl carbonate, Cholest-5-en-3-ol (3beta)-,3-(2-propyn-1-yl carbonate)
CAS号: 33985-07-8
IUPAC名称: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] prop-2-ynyl carbonate
分子式: C31H48O3
分子量: 468.71100
InChI: 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
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OCC#C)C)C
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