| SpectraBase Compound ID | ILnRnuZQDTW |
|---|---|
| InChI | InChI=1S/C36H34N2O6/c1-38-13-11-25-18-33(42-3)36-35(40)34(25)28(38)15-23-8-9-29(39)30(16-23)44-32-19-26-24(17-31(32)41-2)10-12-37-27(26)14-21-4-6-22(7-5-21)20-43-36/h4-10,12,16-19,28,39-40H,11,13-15,20H2,1-3H3 |
| InChIKey | JDQUPOMQSBZZHW-UHFFFAOYSA-N |
| Mol Weight | 590.7 g/mol |
| Molecular Formula | C36H34N2O6 |
| Exact Mass | 590.241687 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CcayY57aSMo |
|---|---|
| Name | (+)-Cycleatjehine |
| CAS Registry Number | 128582-52-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H34N2O6 |
| InChI | InChI=1S/C36H34N2O6/c1-38-13-11-25-18-33(42-3)36-35(40)34(25)28(38)15-23-8-9-29(39)30(16-23)44-32-19-26-24(17-31(32)41-2)10-12-37-27(26)14-21-4-6-22(7-5-21)20-43-36/h4-10,12,16-19,28,39-40H,11,13-15,20H2,1-3H3 |
| InChIKey | JDQUPOMQSBZZHW-UHFFFAOYSA-N |
| Molecular Weight | 590.676 g/mol |
| SMILES | Oc1ccc2cc1Oc1cc3c(Cc4ccc(COc5c(cc6CCN(C(c6c5O)C2)C)OC)cc4)nccc3cc1OC |
| SPLASH | splash10-0a7l-0066090000-8d1ed8e09971c7547d22 |
| Source of Spectrum | F-46-330-6 |
| Wiley ID | 1409364 |