| SpectraBase Spectrum ID |
9JaSOmWJ54B |
| Name |
(1S,3S,5R,8S)-3,8-Dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulen-1-ol |
| Alternate Name(s) |
(2S)-Rotundol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H24O |
| InChI |
InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12,14,16H,1,5-8H2,2-4H3/t10-,11-,12+,14-/m0/s1 |
| InChIKey |
PYNOUJREBZBBTE-FMSGJZPZSA-N |
| Instrument Name |
Agilent Technologies 6890-5973N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np500819f |
| Molecular Weight |
220.356 g/mol |
| SMILES |
O[C@@]1(C2=C(C[C@@](CC[C@@]2(C)[H])(C(=C)C)[H])[C@](C1)(C)[H])[H] |
| SPLASH |
splash10-0901-3910000000-5f73f40ceef3514c6075 |
| Source of Spectrum |
G4-78-140-7b |
| Wiley ID |
1865828 |
