Cholesteryl linoleate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N102522_D7C8
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N102522_D7C8 contains the MS2 mass spectrum of Cholesteryl linoleate with the InChIkey NAACPBBQTFFYQB-LJAITQKLSA-N.
Source: Cholesteryl linoleate
Chemical Info
| InChI | InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1 |
|---|---|
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C |
| InChI Key | NAACPBBQTFFYQB-LJAITQKLSA-N |
| Molecular Formula | C45H76O2 |
| Exact Mass | 648.585 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 4.0 International (CC BY 4.0) |
| Id | 26076afb-0a9b-4f07-b07d-40768620ff0f |
| Package id | msbnk-antwerp_univ-metox_n102522_d7c8 |
| Resource type | HTML |
| State | active |