Murideoxycholic acid

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

ID: Reference14098

Other Names: Murocholic acid;
AA-2815

Formula: C24H40O4

Class: Steroids/Vitamins/Hormones Endogenous Metabolites

Spectral Data

Murideoxycholic 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 1
No. of Spectra 490
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/22/2026 3:04:19 PM
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Identificators

InChI InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21-,23-,24-/m1/s1
InChI Key DGABKXLVXPYZII-PLYQRAMGSA-N
Canonical SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
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Other Names Murocholic acid;
AA-2815

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