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Desoxycholic acid -H2O ME
SpectraBase Compound ID CI5tXEaEwHy
InChI InChI=1S/C25H40O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h5,7,16-22,26H,6,8-15H2,1-4H3
InChIKey HDXFKPPIKDSQGU-UHFFFAOYSA-N
Mol Weight 388.6 g/mol
Molecular Formula C25H40O3
Exact Mass 388.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ePGV8NFI
Name Desoxycholic acid -H2O ME
Classification Choleretic
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Exact Mass 388.297745145 u
Formula C25H40O3
InChI InChI=1S/C25H40O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h5,7,16-22,26H,6,8-15H2,1-4H3
InChIKey HDXFKPPIKDSQGU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 388.592 g/mol
Related CAS Registry Number(s) 83-44-3
SMILES C1C=CC2C(C)(C1)C1CC(O)C3(C(C1CC2)CCC3C(C)CCC(OC)=O)C
SPLASH splash10-0ab9-5792000000-291f158e663a700b733f
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3126