Dehydrocholic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01316
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML01316 contains the MS2 mass spectrum of Dehydrocholic acid with the InChIkey OHXPGWPVLFPUSM-UHFFFAOYSA-N.
Source: Dehydrocholic acid
Chemical Info
| InChI | InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29) |
|---|---|
| SMILES | CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C |
| InChI Key | OHXPGWPVLFPUSM-UHFFFAOYSA-N |
| Molecular Formula | C24H34O5 |
| Exact Mass | 402.241 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 0df652b5-d21e-43d4-850f-e182be6a7b97 |
| Package id | msbnk-washington_state_univ-bml01316 |
| Resource type | HTML |
| State | active |