| SpectraBase Compound ID | BBGPK14lueW |
|---|---|
| InChI | InChI=1S/C24H36O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h12,14,16-19,21,26H,4-11,13H2,1-3H3,(H,27,28) |
| InChIKey | VNVAJHCQVWXNTN-UHFFFAOYSA-N |
| Mol Weight | 388.5 g/mol |
| Molecular Formula | C24H36O4 |
| Exact Mass | 388.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1mkxDq1OEiP |
|---|---|
| Name | 4,5-Dehydro-6-hydroxy-3-oxo-cholanic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H36O4 |
| InChI | InChI=1S/C24H36O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h12,14,16-19,21,26H,4-11,13H2,1-3H3,(H,27,28) |
| InChIKey | VNVAJHCQVWXNTN-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 388.548 g/mol |
| SMILES | OC1CC2C3CCC(C(CCC(O)=O)C)C3(CCC2C2(C1=CC(CC2)=O)C)C |
| SPLASH | splash10-00dr-2921000000-d27bf50ee9373bba3ae2 |
| Source of Spectrum | SRH-2022-10076-0 |
| Wiley ID | 1831704 |