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Nonanoic acid, cholesteryl ester
SpectraBase Compound ID AddLHzXjVCz
InChI InChI=1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3
InChIKey WCLNGBQPTVENHV-UHFFFAOYSA-N
Mol Weight 526.9 g/mol
Molecular Formula C36H62O2
Exact Mass 526.474981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dm560n8ZHBl
Name Cholest-5-en-3-yl nonanoate
CAS Registry Number 1182-66-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H62O2
InChI InChI=1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3
InChIKey WCLNGBQPTVENHV-UHFFFAOYSA-N
Molecular Weight 526.890 g/mol
SMILES C1(CCC2(C(C1)=CCC1C2CCC2(C1CCC2C(CCCC(C)C)C)C)C)OC(=O)CCCCCCCC
SPLASH splash10-05mk-5912000000-9983e2119ff954cf3204
Source of Spectrum W5-0-0-0
Synonyms 5-Cholesten-3.beta.-ol pelargonate Cholest-5-en-3-ol (3.beta.)-, nonanoate Cholest-5-en-3-ol (3beta)-, nonanoate Cholesterol pelargonate Cholesterol, nonanoate Cholesteryl nonanoate Cholesteryl nonylate Cholesteryl pelargonate nonanoic 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] nonanoate [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] nonanoate EINECS 214-658-3
Wiley ID 1402918