Ergocalciferol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81182
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML81182 contains the MS mass spectrum of Ergocalciferol with the InChIkey MECHNRXZTMCUDQ-UHFFFAOYSA-N.
Source: Ergocalciferol
Chemical Info
| InChI | InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3 |
|---|---|
| SMILES | CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C |
| InChI Key | MECHNRXZTMCUDQ-UHFFFAOYSA-N |
| Molecular Formula | C28H44O |
| Exact Mass | 396.339 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 | 4643e06b-25aa-4a71-a32b-f8adbe78c00c |
| Package id | msbnk-washington_state_univ-bml81182 |
| Resource type | HTML |
| State | active |