Nordeoxycholic Acid

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Systematic / IUPAC Name: (3R)-3-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]butanoic acid

ID: Reference14097

Other Names: 23-Nordeoxycholic acid;
AA-2814

Formula: C23H38O4

Class: Steroids/Vitamins/Hormones Endogenous Metabolites

Spectral Data

Nordeoxycholic 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 1816
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/22/2026 2:47:33 PM
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Identificators

InChI InChI=1S/C23H38O4/c1-13(10-21(26)27)17-6-7-18-16-5-4-14-11-15(24)8-9-22(14,2)19(16)12-20(25)23(17,18)3/h13-20,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17-,18+,19+,20+,22+,23-/m1/s1
InChI Key PLRQOCVIINWCFA-AHFDLSHQSA-N
Canonical SMILES C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
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Other Names 23-Nordeoxycholic acid;
AA-2814

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