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Hexanoic acid, 2-ethyl-, cholest-5-en-3-yl ester
SpectraBase Compound ID ICW7QMEtFsE
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
InChIKey MOWZDRPKXFFKDM-UHFFFAOYSA-N
Mol Weight 512.9 g/mol
Molecular Formula C35H60O2
Exact Mass 512.459331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3aOlcYpFY0
Name Hexanoic acid, 2-ethyl-, cholest-5-en-3-yl ester
Alternate Name(s) 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-ethylhexanoate Cholest-5-en-3-yl 2-ethylhexanoate 2-Ethylhexanoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-(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] 2-ethylhexanoate [10,13-dimethyl-17-(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
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Formula C35H60O2
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
InChIKey MOWZDRPKXFFKDM-UHFFFAOYSA-N
Molecular Weight 512.863 g/mol
SMILES CCCCC(CC)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
SPLASH splash10-066r-9725000000-43dca9e177fdd4e70029
Source of Spectrum JX-2015-4-1011
Wiley ID 1726418