Cholecalciferol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80927
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML80927 contains the MS mass spectrum of Cholecalciferol with the InChIkey QYSXJUFSXHHAJI-UHFFFAOYSA-N.
Source: Cholecalciferol
Chemical Info
| InChI | InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C |
| InChI Key | QYSXJUFSXHHAJI-UHFFFAOYSA-N |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339 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 | 955f4c96-cc4b-43ba-8928-79966b57b12c |
| Package id | msbnk-washington_state_univ-bml80927 |
| Resource type | HTML |
| State | active |