| SpectraBase Spectrum ID |
2DWzC8VPM0 |
| Name |
Californine-M (demethylene-) 2AC |
| Classification |
Alkaloid |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
395.136887394 u |
| Formula |
C22H21NO6 |
| InChI |
InChI=1S/C22H21NO6/c1-11(24)28-21-7-14-5-17-15-8-20-19(26-10-27-20)6-13(15)4-18(23(17)3)16(14)9-22(21)29-12(2)25/h6-9,17-18H,4-5,10H2,1-3H3 |
| InChIKey |
VCHNAOXLVGELMF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
395.411 g/mol |
| SMILES |
c1(c(OC(C)=O)cc2C3N(C(Cc2c1)c1cc2c(cc1C3)OCO2)C)OC(C)=O |
| SPLASH |
splash10-000i-2933000000-71c9e9e53277cc65d6d9 |
| 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_6724 |
