7β-Hydroxycholesterol

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Systematic / IUPAC Name: (3S,7R,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]phenanthrene-3,7-diol

ID: Reference14019

Other Names: AA-2769

Formula: C27H46O2

Class: Steroids/Vitamins/Hormones Endogenous Metabolites

Spectral Data

7β-Hydroxycholesterol 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 160
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 7/24/2026 4:01:42 PM
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Identificators

InChI InChI=1S/C27H46O2/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/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1
InChI Key OYXZMSRRJOYLLO-KGZHIOMZSA-N
Canonical SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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Other Names AA-2769

In Other Databases

ChEBI CHEBI:42989
HMDb HMDB0006119; HMDB0006119; HMDB0006119
PubChem 473141
ChEMBL CHEMBL497834
LipidsMAPs LMST01010047
DrugBank DB04706; DB04706
ChemSpider 415508