Dehydrolithocholic acid

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Systematic / IUPAC Name: (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

ID: Reference10238

Other Names: AA-2803

Formula: C24H38O3

Class: Steroids/Vitamins/Hormones Endogenous Metabolites

Spectral Data

Dehydrolithocholic 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 1756
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/8/2026 4:22:34 PM
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Identificators

InChI InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1
InChI Key KIQFUORWRVZTHT-OPTMKGCMSA-N
Canonical SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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Other Names AA-2803

In Other Databases

ChemSpider 4446994
PubChem 5283906
ChEBI CHEBI:17639
ChEMBL CHEMBL410893