| SpectraBase Spectrum ID |
2RDK1TKRI8Z |
| Name |
(1R,3E,7E,11S,12R)-14-Oxo-3,7,18-dolabellatriene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30O |
| InChI |
InChI=1S/C20H30O/c1-14(2)17-13-19(21)20(5)12-11-16(4)8-6-7-15(3)9-10-18(17)20/h7,11,17-18H,1,6,8-10,12-13H2,2-5H3/b15-7+,16-11+/t17-,18-,20+/m0/s1 |
| InChIKey |
RNHJVFUOEQKJEA-OEMINUNOSA-N |
| Instrument Name |
Hewlett-Packard 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np1006586 |
| Molecular Weight |
286.459 g/mol |
| Optical Rotation |
[a]D20 = -76 (c = 0.09, CHCl3) |
| Reported Formula |
C20H30O |
| SMILES |
[C@@]1(CC([C@]2([C@]1(CC\C(=C\CC\C(=C\C2)C)C)[H])C)=O)(C(=C)C)[H] |
| SPLASH |
splash10-0ky3-9820000000-959da8c89a2c19323601 |
| Source of Spectrum |
G4-74-220-1 |
| Wiley ID |
1849046 |
