| SpectraBase Spectrum ID |
4Y8nJ89ABM |
| Name |
Chenodesoxycholic acid -2H2O ME |
| Classification |
Gallstone dissolving
agent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
370.287180462 u |
| Formula |
C25H38O2 |
| InChI |
InChI=1S/C25H38O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h5,7,9,17,19-22H,6,8,10-16H2,1-4H3 |
| InChIKey |
QWJPYKBTCCHREN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
370.577 g/mol |
| SMILES |
C12(C(C3CC=C4C(C3CC2)(CCC=C4)C)CCC1C(CCC(=O)OC)C)C |
| SPLASH |
splash10-0a4i-8892000000-e2485e09f6d44ec2707d |
| 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. |
| Sample Preparation Procedure |
Detected: UHYAC |
| 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_4474 |
