| SpectraBase Spectrum ID |
AOpI65CgsM6 |
| Name |
(R,E)-1-((S)-6-Methoxy-2,5,7,8-tetramethylchroman-2-yl)-4,8,12-trimethyltridec-4-en-2-one |
| Appearance |
Colourless oil |
| Carrier Gas |
Hydrogen (30 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.360345403 u |
| Formula |
C30H48O3 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C30H48O3/c1-20(2)12-10-13-21(3)14-11-15-22(4)18-26(31)19-30(8)17-16-27-25(7)28(32-9)23(5)24(6)29(27)33-30/h15,20-21H,10-14,16-19H2,1-9H3/b22-15+/t21-,30+/m1/s1 |
| InChIKey |
OXMOREIBPAFGOO-YLCRTVLASA-N |
| Instrument Name |
Agilent HP6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202004843 |
| Molecular Weight |
456.711 g/mol |
| Optical Rotation |
[a]D20 = 29.44 (589nm) (c = 0.360/100ml, CH3Cl) |
| Quality |
152 |
| SMILES |
COC1=C(C2=C(C(=C1C)C)O[C@@](CC2)(CC(C\C(=C\CC[C@@](CCCC(C)C)(C)[H])C)=O)C)C |
| SPLASH |
splash10-0gdl-4590200000-0bb068731f0236cc5443 |
| Source of Spectrum |
QE-27-SM60-12r (DOI: 10.1002/chem.202004843) |
| Thin-Layer Chromatography |
0.53 (SiO2, cHex/EtOAc, 10:1) |
| Wiley ID |
1901998 |
