| SpectraBase Compound ID | J1aRyj4HLnV |
|---|---|
| InChI | InChI=1S/C23H28N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h5-8,13-14,16,19,24H,1,9-12H2,2-4H3/b17-13+/t14-,16-,19-/m0/s1 |
| InChIKey | JGZKIGWXPPFMRG-CYSPOEIOSA-N |
| Mol Weight | 396.49 g/mol |
| Molecular Formula | C23H28N2O4 |
| Exact Mass | 396.204907 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FurzAsXhgX2 |
|---|---|
| Name | Paynantheine |
| Catalog Number | 21841 |
| CAS Registry Number | 4697-66-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H28N2O4 |
| InChI | InChI=1S/C23H28N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h5-8,13-14,16,19,24H,1,9-12H2,2-4H3/b17-13+/t14-,16-,19-/m0/s1 |
| InChIKey | JGZKIGWXPPFMRG-CYSPOEIOSA-N |
| Molecular Weight | 396.487 g/mol |
| SMILES | [nH]1c2c(c3c1cccc3OC)CCN1[C@]2(C[C@@]([C@](C1)(C=C)[H])(\C(C(=O)OC)=C/OC)[H])[H] |
| SPLASH | splash10-0gvk-2974000000-dc28d38f382f56e457c8 |
| Source of Spectrum | CAY-2023-508-0 |
| Wiley ID | 1888469 |