| SpectraBase Spectrum ID |
2q8bXLyJ8q |
| Name |
(1R,3E,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30O2 |
| InChI |
InChI=1S/C20H30O2/c1-13(2)15-12-17(21)19(4)10-8-14(3)6-7-18-20(5,22-18)11-9-16(15)19/h8,15-16,18H,1,6-7,9-12H2,2-5H3/b14-8+/t15-,16+,18+,19-,20+/m1/s1 |
| InChIKey |
BGCBFCPMURPDPJ-DKMZEYLLSA-N |
| Instrument Name |
Hewlett-Packard 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np1006586 |
| Molecular Weight |
302.458 g/mol |
| Optical Rotation |
[a]D20 = -66.4 (c = 0.19, CHCl3) |
| Reported Formula |
C20H30O2 |
| SMILES |
C1C([C@]2([C@]([C@]1(C(=C)C)[H])(CC[C@]1([C@](CC\C(=C\C2)C)(O1)[H])C)[H])C)=O |
| SPLASH |
splash10-07yu-3930000000-23b0c00f431d9eae4851 |
| Source of Spectrum |
G4-74-221-10 |
| Wiley ID |
1849041 |
