| SpectraBase Spectrum ID |
DjK1NUM4NWh |
| Name |
Anisucoumaramide |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H23NO7 |
| InChI |
InChI=1S/C22H23NO7/c1-13(11-16-12-15(22(26)29-16)4-7-18(23)24)9-10-28-17-6-3-14-5-8-19(25)30-20(14)21(17)27-2/h3,5-6,8-9,12,16H,4,7,10-11H2,1-2H3,(H2,23,24)/b13-9+/t16-/m1/s1 |
| InChIKey |
JJTHROCBOPPGSD-LRFDDAOPSA-N |
| Instrument Name |
VG Autospec-3000 |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1021/acs.jnatprod.6b00391 |
| Molecular Weight |
413.426 g/mol |
| Optical Rotation |
[a]D21.5 = -13 (c = 1.5, MeOH) |
| Reported Formula |
C22H23NO7 |
| SMILES |
NC(CCC=1C(O[C@@](C1)(C\C(=C\COc1c(c2c(cc1)C=CC(O2)=O)OC)C)[H])=O)=O |
| SPLASH |
splash10-004i-5910000000-8d680374225651ebc204 |
| Source of Spectrum |
G4-80-SM7-1 |
| Wiley ID |
1867599 |
