| SpectraBase Spectrum ID |
9Q3Xi40BVEM |
| Name |
(1R,3E,7Z,11S)-13-Ketodolabella-3,7,12(18)-trien-17-al |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O2 |
| InChI |
InChI=1S/C20H28O2/c1-14(2)19-17-9-8-16(13-21)7-5-6-15(3)10-11-20(17,4)12-18(19)22/h7,10,13,17H,5-6,8-9,11-12H2,1-4H3/b15-10+,16-7-/t17-,20-/m1/s1 |
| InChIKey |
SVDXJBCNVGUNPY-ZTHPXSDRSA-N |
| Instrument Name |
Agilent 5977A MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.1c00199 |
| Molecular Weight |
300.442 g/mol |
| Optical Rotation |
[a]D23 = +60 (c = 0.1, CHCl3) |
| Reported Formula |
C20H29O2 |
| SMILES |
C1[C@]2([C@](C\C=C\(CC\C=C\(C1)C=O)C)(CC(C2=C(C)C)=O)C)[H] |
| SPLASH |
splash10-0udi-3900000000-ea32b737c256364d1fef |
| Source of Spectrum |
G4-84-1380-7 |
| Wiley ID |
1884152 |
