| SpectraBase Spectrum ID |
ITS49NjJIX8 |
| Name |
Carnosic acid .gamma.-lactone 12-nicotinate |
| Appearance |
Colorless powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H29NO4 |
| InChI |
InChI=1S/C26H29NO4/c1-15(2)18-13-16-8-9-19-25(3,4)10-6-11-26(19)20(16)22(31-24(26)29)21(18)30-23(28)17-7-5-12-27-14-17/h5,7,12-15,19H,6,8-11H2,1-4H3/t19?,26-/m1/s1 |
| InChIKey |
OGYFBONYYOSCIW-COTLDPOVSA-N |
| Instrument Name |
VG Micromass ZAB-2F |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np900822x |
| Molecular Weight |
419.521 g/mol |
| Optical Rotation |
[a]D20 = +48 (c = 0.10, CHCl3) |
| Reported Formula |
C26H29NO4 |
| SMILES |
c1(OC(c2cccnc2)=O)c(cc2c3c1OC(=O)[C@]31C(CC2)C(C)(C)CCC1)C(C)C |
| SPLASH |
splash10-0a4l-1948000000-3ef33d5ec464cb6a1c03 |
| Source of Spectrum |
G4-73-642-15 |
| Wiley ID |
1846422 |
