| SpectraBase Compound ID | 47MafJtPjYE |
|---|---|
| InChI | InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)33-5)25(29,21(24)26)20(27)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18+,19?,20+,21?,22+,23-,24+,25-/m1/s1 |
| InChIKey | ZHKWZOSWJFLWBA-XYUATOPGSA-N |
| Mol Weight | 467.6 g/mol |
| Molecular Formula | C25H41NO7 |
| Exact Mass | 467.288303 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JjvEDilNCJk |
|---|---|
| Name | Acosanine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H41NO7 |
| InChI | InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)33-5)25(29,21(24)26)20(27)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18+,19?,20+,21?,22+,23-,24+,25-/m1/s1 |
| InChIKey | ZHKWZOSWJFLWBA-XYUATOPGSA-N |
| Molecular Weight | 467.603 g/mol |
| SMILES | O[C@]1(C2[C@@]3(CN(C4[C@@]2(C2C[C@]5([C@@](C2[C@@]([C@@]14O)(C[C@@]5(OC)[H])O)(OC)[H])[H])[C@](CC3)(OC)[H])CC)COC)[H] |
| SPLASH | splash10-000i-0000900000-16986790f716961ed82c |
| Source of Spectrum | X4-28-214-0 |
| Wiley ID | 1586481 |