| SpectraBase Spectrum ID |
2BpSLyLdxY |
| Name |
Dihydroxynorcholanoic acid MEAC |
| Classification |
Biomolecule |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
416.292659764 u |
| Formula |
C26H40O4 |
| InChI |
InChI=1S/C26H40O4/c1-16(14-24(28)29-5)21-10-11-22-20-9-7-18-6-8-19(30-17(2)27)15-26(18,4)23(20)12-13-25(21,22)3/h6,8,16,18-23H,7,9-15H2,1-5H3 |
| InChIKey |
UBJDFWMSWZCBGQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
416.602 g/mol |
| SMILES |
C1(C=CC2C(C1)(C1C(CC2)C2C(C(C(CC(=O)OC)C)CC2)(C)CC1)C)OC(=O)C |
| SPLASH |
splash10-0a4l-2973000000-d55f3c9799d5b095dfc9 |
| 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 |
| Synonyms |
Dihydroxynorcholanoic acid -H2O MEAC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2455 |
