| SpectraBase Spectrum ID |
Gyen6WUHP6a |
| Name |
Chenodesoxycholic acid ME2AC |
| CAS Registry Number |
56085-33-7 |
| Classification |
Gallstone dissolving
agent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
490.329439195 u |
| Formula |
C29H46O6 |
| InChI |
InChI=1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3 |
| InChIKey |
ZKHVKSAMEUAGEN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
490.681 g/mol |
| SMILES |
C12(C(C3C(C4(C(CC(OC(=O)C)CC4)CC3OC(=O)C)C)CC1)CCC2C(CCC(=O)OC)C)C |
| SPLASH |
splash10-0a4i-6975000000-89be9d0fffdec263120c |
| 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_4473 |
