Chenodeoxycholic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00990
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00990 contains the MS2 mass spectrum of Chenodeoxycholic acid with the InChIkey RUDATBOHQWOJDD-UHFFFAOYSA-N.
Source: Chenodeoxycholic acid
Chemical Info
| InChI | InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28) |
|---|---|
| SMILES | CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C |
| InChI Key | RUDATBOHQWOJDD-UHFFFAOYSA-N |
| Molecular Formula | C24H40O4 |
| Exact Mass | 392.293 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 | 4ef10ad0-7e9f-4b16-8f61-1a6c97c5db70 |
| Package id | msbnk-washington_state_univ-bml00990 |
| Resource type | HTML |
| State | active |