| SpectraBase Spectrum ID |
Kc2HGpYpTMm |
| Name |
Methyl 3-oxo-12'-apo-.epsilon.-caroten-12'-oate |
| Alternate Name(s) |
heteranthin |
| Appearance |
Yellow, amorphous powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H34O3 |
| InChI |
InChI=1S/C26H34O3/c1-19(11-8-9-14-21(3)25(28)29-7)12-10-13-20(2)15-16-24-22(4)17-23(27)18-26(24,5)6/h8-17,24H,18H2,1-7H3/b9-8+,12-10+,16-15+,19-11+,20-13+,21-14+/t24-/m1/s1 |
| InChIKey |
NRLVZXUWVPUCFW-WFCITUQGSA-N |
| Instrument Name |
JEOL JMS-AX 505 HA |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np050489f |
| Molecular Weight |
394.555 g/mol |
| Optical Rotation |
[a]D23 = -669.8 (c = 0.06, CHCl3) |
| Reported Formula |
C26H34O3 |
| SMILES |
C1C([C@@](C(=CC1=O)C)(\C=C\C(=C\C=C\C(=C\C=C\C=C\(C(=O)OC)C)C)C)[H])(C)C |
| SPLASH |
splash10-054p-0934000000-9610df07295ccbf2b5e7 |
| Source of Spectrum |
G4-69-1143-1 |
| Thin-Layer Chromatography |
Rf = 0.65 (Et2O/petroleum ether, 1:1) |
| Wiley ID |
1874270 |
