| SpectraBase Spectrum ID |
LuVHNVjr9gY |
| Name |
Californine-M isomer-2 AC |
| Classification |
Alkaloid |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
367.141972775 u |
| Formula |
C21H21NO5 |
| InChI |
InChI=1S/C21H21NO5/c1-11(23)27-21-9-15-12(6-18(21)24-3)4-16-14-8-20-19(25-10-26-20)7-13(14)5-17(15)22(16)2/h6-9,16-17H,4-5,10H2,1-3H3 |
| InChIKey |
MZIBRQSEHYKJEA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
367.401 g/mol |
| SMILES |
c1(c(cc2C3N(C(Cc2c1)c1c(cc2c(c1)OCO2)C3)C)OC(=O)C)OC |
| SPLASH |
splash10-000i-5933000000-d90a1be4ae5b7aa447e9 |
| 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 |
| Synonyms |
Californine-M (demethylene-methyl-) isomer-2 AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6728 |
