SpectraBase Spectrum ID |
5ebiZ1NfF14 |
Name |
Debilisone F |
Appearance |
White amorphous solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C27H42O3 |
InChI |
InChI=1S/C27H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-26(24-28)30-27(25)29/h5-6,25-26,28H,2-4,11-24H2,1H3/b6-5-/t25-,26-/m0/s1 |
InChIKey |
UDGGEZMSHCWKLF-FFBRGDFHSA-N |
Instrument Name |
Varian CP-3800 GC 1200 L Quadrupole |
Ionization Type |
EI |
Literature Reference DOI |
10.1021/np1001913 |
Molecular Weight |
414.630 g/mol |
Optical Rotation |
[a]D20 = +50.2 (c = 0.206, CHCl3) |
Reported Formula |
C27H42O3 |
SMILES |
OC[C@]1(OC([C@](C1)(CCCCCCCCCCCCC#CC#C\C=C/CCCC)[H])=O)[H] |
SPLASH |
splash10-00mo-9600000000-ff44cd5cf6693f980ce3 |
Source of Spectrum |
G4-73-SM14-6 |
Wiley ID |
1849006 |