| SpectraBase Compound ID | 4sHlTypfa2w |
|---|---|
| InChI | InChI=1S/C36H56O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(38)42-35-22-26(3)36(41)28(31(35)33(35,4)5)21-27(24-37)23-34(40)29(36)20-25(2)32(34)39/h20-21,24,26,28-29,31,40-41H,6-19,22-23H2,1-5H3/t26-,28+,29-,31-,34-,35+,36-/m1/s1 |
| InChIKey | NFTGKFBSWRGMSO-IEIRSVMLSA-N |
| Mol Weight | 584.8 g/mol |
| Molecular Formula | C36H56O6 |
| Exact Mass | 584.40769 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 14giGKNABVw |
|---|---|
| Name | 12-Deoxy-phorbaldehyde-13-hexadecyl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H56O6 |
| InChI | InChI=1S/C36H56O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(38)42-35-22-26(3)36(41)28(31(35)33(35,4)5)21-27(24-37)23-34(40)29(36)20-25(2)32(34)39/h20-21,24,26,28-29,31,40-41H,6-19,22-23H2,1-5H3/t26-,28+,29-,31-,34-,35+,36-/m1/s1 |
| InChIKey | NFTGKFBSWRGMSO-IEIRSVMLSA-N |
| Molecular Weight | 584.838 g/mol |
| SMILES | O[C@@]12[C@]3([C@](CC(=C[C@]1([C@]1([C@@](C[C@]2(C)[H])(C1(C)C)OC(=O)CCCCCCCCCCCCCCC)[H])[H])C=O)(C(C(=C3)C)=O)O)[H] |
| SPLASH | splash10-03xr-0009070000-d150f95fa1ff8462a4c7 |
| Source of Spectrum | G4-69-969-6 |
| Wiley ID | 1694362 |