5α,6α-Epoxycholesterol

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Systematic / IUPAC Name: (1S,2R,5S,7R,9S,11S,12S,15R,16R)-2,16-Dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol

ID: Reference14046

Other Names: Cholesterol-5α,6α-epoxide;
AA-2779

Formula: C27H46O2

Class: Steroids/Vitamins/Hormones Endogenous Metabolites

Spectral Data

5α,6α-Epoxycholesterol 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 954
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/21/2026 5:58:11 PM
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Identificators

InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1
InChI Key PRYIJAGAEJZDBO-ZEQHCUNVSA-N
Canonical SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C
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Other Names Cholesterol-5α,6α-epoxide;
AA-2779

In Other Databases

KEGG C15992
ChEMBL CHEMBL497438
PubChem 227037
ChEBI CHEBI:49305
ChemSpider 197489
LipidsMAPs LMST01010011