Cholesteryl oleate

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Systematic / IUPAC Name: [(3S,10R,13R)-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] (Z)-octadec-9-enoate

ID: Reference14047

Other Names: (3β,8ξ,9ξ,14ξ,17ξ)-Cholest-5-en-3-yl (9Z)-9-octadecenoate;
AA-2784

Formula: C45H78O2

Class: Steroids/Vitamins/Hormones Endogenous Metabolites

Spectral Data

Cholesteryl oleate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 160
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 8/21/2026 6:00:41 PM
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Identificators

InChI InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39?,40?,41?,42?,44+,45-/m1/s1
InChI Key RJECHNNFRHZQKU-DVPYOPPASA-N
Canonical SMILES CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC32)C1
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Other Names (3β,8ξ,9ξ,14ξ,17ξ)-Cholest-5-en-3-yl (9Z)-9-octadecenoate;
AA-2784

In Other Databases

ChemSpider 26263151
PubChem 50938266