Deoxycholic acid methyl ester
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01206
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML01206 contains the MS2 mass spectrum of Deoxycholic acid methyl ester with the InChIkey ZHUOOEGSSFNTNP-UHFFFAOYSA-N.
Source: Deoxycholic acid methyl ester
Chemical Info
| InChI | InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C |
| InChI Key | ZHUOOEGSSFNTNP-UHFFFAOYSA-N |
| Molecular Formula | C25H42O4 |
| Exact Mass | 406.308 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 | 222f3c96-41f7-440b-94de-ce0fdd68ea44 |
| Package id | msbnk-washington_state_univ-bml01206 |
| Resource type | HTML |
| State | active |