| SpectraBase Compound ID | 6PH4LnsVrxB |
|---|---|
| InChI | InChI=1S/C40H68O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33-40(41)42-35-34-39(6)32-26-31-38(5)30-25-29-37(4)28-24-27-36(2)3/h8-9,11-12,14-15,17-18,20-21,34,36-38H,7,10,13,16,19,22-33,35H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-,39-34+ |
| InChIKey | YUWCQHLMAWBPEI-YOWCENDASA-N |
| Mol Weight | 581.0 g/mol |
| Molecular Formula | C40H68O2 |
| Exact Mass | 580.521931 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7V03eufpYVq |
|---|---|
| Name | (E)-PHYTOL-(5Z,8Z,11Z,14Z,17Z)-EICOSAPENTAENOATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H68O2 |
| InChI | InChI=1S/C40H68O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33-40(41)42-35-34-39(6)32-26-31-38(5)30-25-29-37(4)28-24-27-36(2)3/h8-9,11-12,14-15,17-18,20-21,34,36-38H,7,10,13,16,19,22-33,35H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-,39-34+ |
| InChIKey | YUWCQHLMAWBPEI-YOWCENDASA-N |
| Literature Reference Author | J.A.FINDLAY,A.D.PATIL |
| Literature Reference Citation | J.NAT.PROD.,47,815(1984) |
| Literature Reference DOI | 10.1021/np50035a010 |
| Molecular Weight | 580.979 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS3285 |