| SpectraBase Spectrum ID |
52uVyEm4bJV |
| Name |
(1R,3S,3aR,6S)-7,8-Dimethoxy-3,6,9-trimethyl-1-(2-methylprop-1-en-1-yl)-2,3,3a,4,5,6-hexahydro-1H-phenalene |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.240230268 u |
| Formula |
C22H32O2 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C22H32O2/c1-12(2)10-16-11-14(4)17-9-8-13(3)18-20(17)19(16)15(5)21(23-6)22(18)24-7/h10,13-14,16-17H,8-9,11H2,1-7H3/t13-,14-,16-,17+/m0/s1 |
| InChIKey |
HQCHVIKMXQTAFF-NXNVCVFFSA-N |
| Instrument Name |
Agilent GC6890-HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202101863 |
| Molecular Weight |
328.496 g/mol |
| Optical Rotation |
[a]lambda20 = -111.5 (589 nm) (c = 2.42 g/100 ml, CHCl3) |
| Quality |
347 |
| SMILES |
COC1=C(C2=C3[C@@]([C@](C[C@@](C3=C1C)(C=C(C)C)[H])(C)[H])(CC[C@@]2(C)[H])[H])OC |
| SPLASH |
splash10-01t9-0339000000-b19781b4119233f1268b |
| Sample Comments |
dr = 95:5 |
| Source of Spectrum |
QE-27-SM33-19 (DOI: 10.1002/chem.202101863) |
| Thin-Layer Chromatography |
0.45 (CyHex/EtOAc, 20:1) |
| Wiley ID |
1902161 |
