| SpectraBase Compound ID | CY1TNPkV4QM |
|---|---|
| InChI | InChI=1S/C29H49O4P/c1-25(2)15-11-17-27(4)19-13-21-29(6)23-14-22-28(5)20-12-18-26(3)16-9-7-8-10-24-33-34(30,31)32/h8,10,15-16,19-20,23H,7,9,11-14,17-18,21-22,24H2,1-6H3,(H2,30,31,32)/b10-8-,26-16-,27-19+,28-20+,29-23+ |
| InChIKey | IOZBFMOOYQSVEL-VKHDDQMXSA-N |
| Mol Weight | 492.7 g/mol |
| Molecular Formula | C29H49O4P |
| Exact Mass | 492.336847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dsh0XtYvuuw |
|---|---|
| Name | 3-Desmethylhexaprenylphosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 492.336847052 u |
| Formula | C29H49O4P |
| InChI | InChI=1S/C29H49O4P/c1-25(2)15-11-17-27(4)19-13-21-29(6)23-14-22-28(5)20-12-18-26(3)16-9-7-8-10-24-33-34(30,31)32/h8,10,15-16,19-20,23H,7,9,11-14,17-18,21-22,24H2,1-6H3,(H2,30,31,32)/b10-8-,26-16-,27-19+,28-20+,29-23+ |
| InChIKey | IOZBFMOOYQSVEL-VKHDDQMXSA-N |
| Molecular Weight | 492.681 g/mol |
| SMILES | OP(OC\C=C/CC\C=C\(C)CC\C=C/(C)CC\C=C/(C)CC\C=C/(C)CCC=C(C)C)(=O)O |