| SpectraBase Spectrum ID |
79N9FXVquNe |
| Name |
(1R,3E,7Z,11S)-17-Acetoxy-13-ketodolabella-3,7,12(18)-triene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O3 |
| InChI |
InChI=1S/C22H34O3/c1-15(2)21-19-10-9-18(14-25-17(4)23)8-6-7-16(3)11-12-22(19,5)13-20(21)24/h8,11,19-20,24H,6-7,9-10,12-14H2,1-5H3/b16-11+,18-8-/t19-,20+,22-/m1/s1 |
| InChIKey |
JLAJQYSKQTYRLL-BJJPSBNCSA-N |
| Instrument Name |
Agilent 5977A MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.1c00199 |
| Molecular Weight |
346.511 g/mol |
| Optical Rotation |
[a]D = +54 (c = 0.06, CHCl3) |
| SMILES |
O[C@@]1(C([C@@]2([C@](C1)(C)C\C=C/(C)CC\C=C\(CC2)COC(C)=O)[H])=C(C)C)[H] |
| SPLASH |
splash10-0zfr-5910000000-b2b47d397d13929dd0ff |
| Source of Spectrum |
G4-84-1382-23 |
| Wiley ID |
1884149 |
