Coprocholic acid

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Systematic / IUPAC Name: (6R)-2-Methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid

ID: Reference14106

Other Names: Trihydroxycholestanoic acid;
AA-2819

Formula: C27H46O5

Class: Steroids/Vitamins/Hormones Endogenous Metabolites

Spectral Data

Coprocholic 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 2325
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/29/2026 9:10:35 AM
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Identificators

InChI InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChI Key CNWPIIOQKZNXBB-VCVMUKOKSA-N
Canonical SMILES CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O
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Other Names Trihydroxycholestanoic acid;
AA-2819

In Other Databases

PubChem 122312
LipidsMAPs LMST04030001
HMDb HMDB00601
ChemSpider 109066
ChEBI CHEBI:18402