| SpectraBase Compound ID | OjdT2vfzOt |
|---|---|
| InChI | InChI=1S/C32H44N2O7/c1-6-34-15-30(16-41-28(36)17-9-7-8-10-20(17)33)12-11-22(38-3)32-19-13-18-21(37-2)14-31(29(32)34,23(19)24(18)39-4)27(35)25(40-5)26(30)32/h7-10,18-19,21-26,29H,6,11-16,33H2,1-5H3/t18-,19+,21+,22-,23?,24-,25-,26+,29+,30-,31-,32-/m0/s1 |
| InChIKey | OFZVZACQMZCEAD-NPIXEFIHSA-N |
| Mol Weight | 568.7 g/mol |
| Molecular Formula | C32H44N2O7 |
| Exact Mass | 568.314852 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4xMOXZU0RQg |
|---|---|
| Name | Acoseptine |
| Alternate Name(s) | Anhydro-anthranoyl-coctonine-derivative |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H44N2O7 |
| InChI | InChI=1S/C32H44N2O7/c1-6-34-15-30(16-41-28(36)17-9-7-8-10-20(17)33)12-11-22(38-3)32-19-13-18-21(37-2)14-31(29(32)34,23(19)24(18)39-4)27(35)25(40-5)26(30)32/h7-10,18-19,21-26,29H,6,11-16,33H2,1-5H3/t18-,19+,21+,22-,23?,24-,25-,26+,29+,30-,31-,32-/m0/s1 |
| InChIKey | OFZVZACQMZCEAD-NPIXEFIHSA-N |
| Molecular Weight | 568.711 g/mol |
| SMILES | Nc1c(C(OC[C@@]23[C@]4([C@@](C([C@]56[C@]([C@]4([C@](CC3)(OC)[H])[C@]3(C6[C@@](OC)([C@]([C@@](C5)(OC)[H])(C3)[H])[H])[H])(N(C2)CC)[H])=O)(OC)[H])[H])=O)cccc1 |
| SPLASH | splash10-00xr-5601090000-8e1cddb1c0e2e09960d8 |
| Source of Spectrum | X3-35-93-1 |
| Wiley ID | 1691793 |