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DEBILISONE_F
SpectraBase Compound ID BfTY1oqsCJv
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
Mol Weight 414.6 g/mol
Molecular Formula C27H42O3
Exact Mass 414.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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