CL 14_1_14_1_14_1_15_1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N101527_9C9C
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N101527_9C9C contains the MS2 mass spectrum of CL 14_1_14_1_14_1_15_1 with the InChIkey OIEUMLIZWTVHPY-VDZALVTCSA-N.
Source: CL 14_1_14_1_14_1_15_1
Chemical Info
| InChI | InChI=1S/C66H120O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-66(71)83-62(57-77-64(69)51-47-43-39-35-31-27-23-19-15-11-7-3)59-81-85(74,75)79-55-60(67)54-78-84(72,73)80-58-61(82-65(70)52-48-44-40-36-32-28-24-20-16-12-8-4)56-76-63(68)50-46-42-38-34-30-26-22-18-14-10-6-2/h17-24,60-62,67H,5-16,25-59H2,1-4H3,(H,72,73)(H,74,75)/b21-17-,22-18-,23-19-,24-20-/t60?,61-,62-/m1/s1 |
|---|---|
| SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)(OCC(O)([H])COP(OC[C@]([H])(OC(CCCCCCCC/C=C\CCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)=O)=O |
| InChI Key | OIEUMLIZWTVHPY-VDZALVTCSA-N |
| Molecular Formula | C66H120O17P2 |
| Exact Mass | 1246.800 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 | 90e57ee0-d668-4037-929d-8fdd318c445e |
| Package id | msbnk-antwerp_univ-metox_n101527_9c9c |
| Resource type | HTML |
| State | active |