| SpectraBase Spectrum ID |
CHdckKnouX |
| Name |
Paynantheine |
| CAS Registry Number |
4697-66-9 |
| Classification |
Alkaloid
Herbal drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
396.204907386 u |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
396.487 g/mol |
| SMILES |
[C@@]1([C@](C[C@]2(c3[nH]c4cccc(OC)c4c3CCN2C1)[H])(\C(C(OC)=O)=C/OC)[H])(C=C)[H] |
| SPLASH |
splash10-0gvk-3962000000-54c92a1d4c8cd2c0c8a4 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8052 |
