7-Ketocholesterol

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Systematic / IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one

ID: Reference14045

Other Names: 5-Cholesten-3β-ol-7-one;
7-Oxocholesterol;
AA-2778

Formula: C27H44O2

Class: Steroids/Vitamins/Hormones Endogenous Metabolites

Spectral Data

7-Ketocholesterol 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 831
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 8/21/2026 5:57:40 PM
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Identificators

InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
InChI Key YIKKMWSQVKJCOP-ABXCMAEBSA-N
Canonical SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CAS
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Other Names 5-Cholesten-3β-ol-7-one;
7-Oxocholesterol;
AA-2778

In Other Databases

ChEBI CHEBI:64294
PubChem 91474
LipidsMAPs LMST01010049
ChEMBL CHEMBL1278177
ChemSpider 82599