NCS
中国新化学物质查询
胆固醇2-乙基己醇(Cholesteryl 2-ethylhexanoate)
EINECS 255-316-3, [(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] 2-ethylhexanoate, CHOLESTERYL 2-ETHYLHEXANOATE
CAS号: 41329-01-5
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] 2-ethylhexanoate
分子式: C36H62O3
分子量: 542.87600
InChI: InChI=1S/C35H60O2/c1-8-10-14-26(9-2)33(36)37-28-19-21-34(6)27(23-28)15-16-29-31-18-17-30(25(5)13-11-12-24(3)4)35(31,7)22-20-32(29)34/h15,24-26,28-32H,8-14,16-23H2,1-7H3/t25-,26?,28+,29+,30-,31+,32+,34+,35-/m1/s1
InChIKey: MOWZDRPKXFFKDM-MTYNKIQNSA-N
SMILES: CCCCC(CC)C(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
EINECS: 255-316-3
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