Cholesterol

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Systematic / IUPAC Name: (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-ol

ID: Reference14044

Other Names: AA-2776

Formula: C27H46O

Class: Therapeutics/Prescription Drugs Steroids/Vitamins/Hormones Endogenous Metabolites Excipients/Additives/Colorants Personal Care Products/Cosmetics

Spectral Data

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

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 170
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 8/21/2026 5:56:53 PM
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Identificators

InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChI Key HVYWMOMLDIMFJA-DPAQBDIFSA-N
Canonical SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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Other Names AA-2776

In Other Databases

ChEBI CHEBI:16113
HMDb HMDB62453
ChEMBL CHEMBL112570
KEGG C00187
LipidsMAPs LMST01010001
DrugBank DB04540
Wikipedia Cholesterol
ChemSpider More details; 5775
PubChem 5997; 5997