Dehydrocholic acid

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Systematic / IUPAC Name: (5β,20R)-3,7,12-Trioxocholan-24-oic acid

ID: Reference381

Other Names: Decholin;
Bilidren;
Bilostat;
Cholagon;
Cholimed ; more

Formula: C24H34O5

Class: Endogenous Metabolites

Spectral Data

Dehydrocholic 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 Elite
No. of Spectral Trees 2
No. of Spectra 323
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 1/12/2015 10:06:11 AM
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Identificators

InChI InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1
InChI Key OHXPGWPVLFPUSM-KLRNGDHRSA-N
Canonical SMILES O=C2CC3CC(=O)C1C4C(C(=O)CC1C3(C)CC2)(C(CC4)C(C)CCC(=O)O)C
CAS 81232
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Other Names Decholin;
Bilidren;
Bilostat;
Cholagon;
Cholimed;
Chologon;
Dehychol;
Dehystolin;
Didrocolo;
Drenobyl;
Felacrinos;
Novocolin;
Oxycholin;
Procholon;
Sanocholen;
Acolen;
Dehycon;
Didocol;
Dilabil;
Erebile;
Hykolex;
Ketocholanic acid;
Triketocholanic acid;
Biochol;
Dehycol;
Ketochol;
Khologon;
3,7,12-Trioxocholanic acid;
3,7,12-Triketo-5β-cholanoic acid;
3,7,12-Trioxo-5β-cholan-24-oic acid;
5β-Cholanic acid-3,5,12-trione;
(5β)-3,7,12-Trioxocholan-24-oic acid;
Cholan-24-oic acid, 3,7,12-trioxo-, (5β)-;
Hydrochol

In Other Databases

Wikipedia Dehydrocholic acid
ChemIDPlus 000081232; 007786847
LipidsMAPs LMST04010106
ChemSpider 6422
ChEBI CHEBI:31459
PubChem 6674
ChEMBL CHEMBL514446
KEGG C13154; D01693