| SpectraBase Compound ID | Ax8AtOK1zw |
|---|---|
| InChI | InChI=1S/C26H42N2/c1-17(27-6)20-13-15-26(5)22-10-9-21-18(8-11-23(28-7)24(21,2)3)16-19(22)12-14-25(20,26)4/h8,11-12,16-17,20-23,27-28H,9-10,13-15H2,1-7H3/t17-,20+,21?,22?,23-,25+,26-/m0/s1 |
| InChIKey | ARWZSRFUYCVREE-IMYIGLTPSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C26H42N2 |
| Exact Mass | 382.334799 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IFjMINUts8J |
|---|---|
| Name | N(b)-Demethyl-Papillotrienine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42N2 |
| InChI | InChI=1S/C26H42N2/c1-17(27-6)20-13-15-26(5)22-10-9-21-18(8-11-23(28-7)24(21,2)3)16-19(22)12-14-25(20,26)4/h8,11-12,16-17,20-23,27-28H,9-10,13-15H2,1-7H3/t17-,20+,21?,22?,23-,25+,26-/m0/s1 |
| InChIKey | ARWZSRFUYCVREE-IMYIGLTPSA-N |
| Molecular Weight | 382.636 g/mol |
| SMILES | N([C@]([C@]1(CC[C@@]2([C@@]1(CC=C1C2CCC2C([C@](C=CC2=C1)(NC)[H])(C)C)C)C)[H])(C)[H])C |
| SPLASH | splash10-0a59-9007000000-61162e70cc393ea0038f |
| Source of Spectrum | X2-55-1066-2 |
| Wiley ID | 1604561 |