| SpectraBase Compound ID | Gh3wmKLDGyV |
|---|---|
| InChI | InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30-32(28,29)31-22-20(26)18(24)17(23)19(25)21(22)27/h17-27H,2-16H2,1H3,(H,28,29)/t17-,18-,19+,20-,21-,22-/m1/s1/i22D |
| InChIKey | AIFHYBSDEVTSDF-ZYSXYOGKSA-N |
| Mol Weight | 485.6 g/mol |
| Molecular Formula | C22H442HO9P |
| Exact Mass | 485.286397 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EZywKnaPAug |
|---|---|
| Name | 1-D-o-N-Hexadecyl-myo-inositol-phosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 485.286396764 u |
| Formula | C22H44[2H]O9P |
| InChI | InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30-32(28,29)31-22-20(26)18(24)17(23)19(25)21(22)27/h17-27H,2-16H2,1H3,(H,28,29)/t17-,18-,19+,20-,21-,22-/m1/s1/i22D |
| InChIKey | AIFHYBSDEVTSDF-ZYSXYOGKSA-N |
| Molecular Weight | 485.573 g/mol |
| Nominal Mass | 485 u |
| SMILES | [C@@]1(O)([C@](OP(=O)(O)OCCCCCCCCCCCCCCCC)([C@@]([C@@]([C@]([C@@]1(O)[H])(O)[H])(O)[H])(O)[H])[2H])[H] |