| SpectraBase Spectrum ID |
Bho7S1OWRR0 |
| Name |
(1S,3R,7S,9aR)-1,4,7-Trimethyl-3-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-ol |
| Appearance |
Yellow viscous oil |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.214015521 u |
| Formula |
C20H28O |
| GC Oven Program |
Oven temp 300 oC |
| InChI |
InChI=1S/C20H28O/c1-11(2)8-15-9-13(4)16-7-6-12(3)17-10-18(21)14(5)19(15)20(16)17/h8,10,12-13,15-16,21H,6-7,9H2,1-5H3/t12-,13-,15-,16+/m0/s1 |
| InChIKey |
PAOVHWHMQBXZBE-DARAHFNDSA-N |
| Instrument Name |
Agilent GC6890-HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202200058 |
| Molecular Weight |
284.443 g/mol |
| Optical Rotation |
[a]D20 = -180.4 (436 nm), -89.5 (546 nm), 76.3 (579 nm), 73.0 (589 nm) (0.73 g/100 ml in CHCl3) |
| Quality |
385 |
| SMILES |
OC1=CC2=C3C(=C1C)[C@](C[C@@]([C@]3(CC[C@@]2(C)[H])[H])(C)[H])(C=C(C)C)[H] |
| SPLASH |
splash10-0hjr-0190000000-b12b580d2034df825757 |
| Source of Spectrum |
K1-2022-SM41-5b (DOI: 10.1002/ejoc.202200058) |
| Thin-Layer Chromatography |
0.3 (SiO2, cHex/EtOAc, 10:1) |
| Wiley ID |
1898696 |
