| SpectraBase Spectrum ID |
FVTW1oBeOXU |
| Name |
Californine-M 3AC |
| Classification |
Alkaloid |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
423.131802013 u |
| Formula |
C23H21NO7 |
| InChI |
InChI=1S/C23H21NO7/c1-11(25)24-18-5-15-7-22(30-12(2)26)23(31-13(3)27)9-17(15)19(24)4-14-6-20-21(8-16(14)18)29-10-28-20/h6-9,18-19H,4-5,10H2,1-3H3/t18-,19-/m1/s1 |
| InChIKey |
FCMJLKXWLJDLDM-RTBURBONSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
423.421 g/mol |
| SMILES |
c1(c(OC(C)=O)cc2[C@@]3(N([C@](Cc2c1)(c1cc2c(cc1C3)OCO2)[H])C(C)=O)[H])OC(C)=O |
| SPLASH |
splash10-00di-2973000000-fd3966ca596fa38bdc5b |
| 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 (nor-demethylene-) 3AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6735 |
