7α-Hydroxy-3-oxo-4-cholestenoic acid

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

ID: Reference14021

Other Names: AA-2772

Formula: C27H42O4

Class: Steroids/Vitamins/Hormones Endogenous Metabolites

Spectral Data

7α-Hydroxy-3-oxo-4-cholestenoic acid 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 2
No. of Spectra 3191
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 8/7/2026 9:28:20 AM
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Identificators

InChI InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/t16-,17?,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChI Key SATGKQGFUDXGAX-MYWFJNCASA-N
Canonical SMILES CC(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)C(=O)O
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Other Names AA-2772

In Other Databases

ChemSpider 2338765
PubChem 3081085
KEGG C17337
HMDb HMDB0012458
ChEBI CHEBI:83036