| SpectraBase Compound ID | DljxlS9bADJ |
|---|---|
| InChI | InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1 |
| InChIKey | SZLZWPPUNLXJEA-QEGASFHISA-N |
| Mol Weight | 634.7 g/mol |
| Molecular Formula | C35H42N2O9 |
| Exact Mass | 634.289031 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BgS6FqGU7UB |
|---|---|
| Name | Rescinnamine |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula | C35H42N2O9 |
| InChI | InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1 |
| InChIKey | SZLZWPPUNLXJEA-QEGASFHISA-N |
| SMILES | [nH]1c2[C@]3(C[C@@]4([C@@]([C@]([C@@](C[C@@]4(CN3CCc2c2ccc(cc12)OC)[H])(OC(\C=C\c1cc(c(c(c1)OC)OC)OC)=O)[H])(OC)[H])(C(=O)OC)[H])[H])[H] |
| SPLASH | splash10-0089-9732000000-e558df7678f929bae25c |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |