| SpectraBase Compound ID | 3hqrlhkfeDv |
|---|---|
| InChI | InChI=1S/C31H49O5P/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)31(36-37(33,34)35)29-19-8-7-18-28(29)30(27)32/h7-8,18-20,22-24,32H,9-17,21H2,1-6H3,(H2,33,34,35)/b25-20+ |
| InChIKey | LACLWYAMQVBJBQ-LKUDQCMESA-N |
| Mol Weight | 532.7 g/mol |
| Molecular Formula | C31H49O5P |
| Exact Mass | 532.331762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2rU2k08TH36 |
|---|---|
| Name | Dihydrovitamin K1, 1-monophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 532.331761671 u |
| Formula | C31H49O5P |
| InChI | InChI=1S/C31H49O5P/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)31(36-37(33,34)35)29-19-8-7-18-28(29)30(27)32/h7-8,18-20,22-24,32H,9-17,21H2,1-6H3,(H2,33,34,35)/b25-20+ |
| InChIKey | LACLWYAMQVBJBQ-LKUDQCMESA-N |
| Molecular Weight | 532.702 g/mol |
| SMILES | OP(Oc1c(c(c(c2c1cccc2)O)C\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)C)(=O)O |