| SpectraBase Compound ID | 8fG8oXNCt3a |
|---|---|
| InChI | InChI=1S/C35H32N2O6/c1-37-13-11-22-17-30(40-2)31-19-25(22)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-33-23(10-12-36-26)18-32(41-3)34(39)35(33)43-31/h4-10,12,16-19,27,38-39H,11,13-15H2,1-3H3/t27-/m0/s1 |
| InChIKey | ZWGJUTHSSSKIEX-MHZLTWQESA-N |
| Mol Weight | 576.6 g/mol |
| Molecular Formula | C35H32N2O6 |
| Exact Mass | 576.226037 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3bDfLo0DMYg |
|---|---|
| Name | Stepierrine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H32N2O6 |
| InChI | InChI=1S/C35H32N2O6/c1-37-13-11-22-17-30(40-2)31-19-25(22)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-33-23(10-12-36-26)18-32(41-3)34(39)35(33)43-31/h4-10,12,16-19,27,38-39H,11,13-15H2,1-3H3/t27-/m0/s1 |
| InChIKey | ZWGJUTHSSSKIEX-MHZLTWQESA-N |
| Molecular Weight | 576.649 g/mol |
| SMILES | Oc1c(cc2ccnc3c2c1Oc1cc2[C@](Cc4ccc(Oc5cc(ccc5O)C3)cc4)(N(CCc2cc1OC)C)[H])OC |
| SPLASH | splash10-004i-0300090000-2ff6fe3755d6c979387a |
| Source of Spectrum | X2-54-663-287 |
| Synonyms | Dehatridine |
| Wiley ID | 1604062 |