7α-Hydroxy-4-cholesten-3-one

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

ID: Reference14018

Other Names: AA-2768

Formula: C27H44O2

Class: Steroids/Vitamins/Hormones Endogenous Metabolites

Spectral Data

7α-Hydroxy-4-cholesten-3-one 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 2047
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 7/24/2026 3:59:53 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/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChI Key IOIZWEJGGCZDOL-RQDYSCIWSA-N
Canonical SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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Other Names AA-2768

In Other Databases

LipidsMAPs LMST04030123
ChemSpider 110306
ChEBI CHEBI:17899
Wikipedia 7?-Hydroxy-4-cholesten-3-one
KEGG C05455
PubChem 123743
ChEMBL CHEMBL4285345
HMDb HMDB0001993; HMDB0001993; HMDB0001993