| SpectraBase Spectrum ID |
8T3XW2xnORL |
| Name |
(1R,3E,7E,11S,12S,14S)-14-Acetoxy-3,7,18-dolabellatriene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O2 |
| InChI |
InChI=1S/C22H34O2/c1-15(2)19-14-21(24-18(5)23)22(6)13-12-17(4)9-7-8-16(3)10-11-20(19)22/h8,12,19-21H,1,7,9-11,13-14H2,2-6H3/b16-8+,17-12+/t19-,20+,21+,22-/m1/s1 |
| InChIKey |
AJUISUYGDAPGKA-KMXMIPMLSA-N |
| Instrument Name |
Hewlett-Packard 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np1006586 |
| Molecular Weight |
330.512 g/mol |
| Optical Rotation |
[a]D20 = +29 (c = 0.07, CHCl3) |
| Reported Formula |
C22H34O2 |
| SMILES |
C1[C@@]([C@]2([C@]([C@]1(C(=C)C)[H])(CC\C(=C\CC\C(=C\C2)C)C)[H])C)(OC(C)=O)[H] |
| SPLASH |
splash10-0a59-4930000000-e3e6764d1742415b9d55 |
| Source of Spectrum |
G4-74-221-6 |
| Wiley ID |
1849050 |
