| SpectraBase Spectrum ID |
62Ol7YpDFbC |
| Name |
2-((1R,3aR,8aR)-1,3a,6-trimethyl-1,2,3,3a,4,7,8,8a-octahydroazulen-1-yl)propan-2-ol |
| Appearance |
Colorless oil |
| Carrier Gas |
Helium (1.2 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.214015521 u |
| Formula |
C16H28O |
| GC Column |
HP5-MS UI (30 m x 0.25 mm, film thickness 0.50 micrometer) |
| GC Oven Program |
Oven temp 320oC |
| InChI |
InChI=1S/C16H28O/c1-12-6-7-13-15(4,9-8-12)10-11-16(13,5)14(2,3)17/h8,13,17H,6-7,9-11H2,1-5H3/t13-,15+,16-/m1/s1 |
| InChIKey |
CHANOIUEKVUBCD-VNQPRFMTSA-N |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202100962 |
| Molecular Weight |
236.399 g/mol |
| Optical Rotation |
[a]D20 = +4.8 (c = 0.13, C6D6) |
| Quality |
509 |
| Reported Formula |
C16H28O |
| SMILES |
OC([C@]1([C@]2([C@@](CC=C(CC2)C)(CC1)C)[H])C)(C)C |
| SPLASH |
splash10-0a4i-7900000000-a55e01740d890b7b2819 |
| Sample Comments |
4-epi-4-Methyldauc-8-en-11-ol |
| Source of Spectrum |
QE-27-SM12-20 (DOI: 10.1002/chem.202100962) |
| Thin-Layer Chromatography |
0.31 (pentane/diethyl ether, 5:1) |
| Wiley ID |
1904015 |
