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DEBILISONE_D
SpectraBase Compound ID GK3Anz2HtSl
InChI InChI=1S/C25H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-24(22-26)28-25(23)27/h2,5-6,23-24,26H,1,3-4,11-22H2/b6-5-/t23-,24-/m0/s1
InChIKey JOOSDMFXDYLQBI-IBIPGRCGSA-N
Mol Weight 384.6 g/mol
Molecular Formula C25H36O3
Exact Mass 384.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MFpHnt9xG6
Name Debilisone D
Appearance White amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O3
InChI InChI=1S/C25H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-24(22-26)28-25(23)27/h2,5-6,23-24,26H,1,3-4,11-22H2/b6-5-/t23-,24-/m0/s1
InChIKey JOOSDMFXDYLQBI-IBIPGRCGSA-N
Instrument Name Varian CP-3800 GC 1200 L Quadrupole
Ionization Type EI
Literature Reference DOI 10.1021/np1001913
Molecular Weight 384.560 g/mol
Optical Rotation [a]D23 = +34.9 (c = 0.206, CHCl3)
Reported Formula C25H36O3
SMILES OC[C@]1(OC([C@](C1)(CCCCCCCCCCC#CC#C\C=C/CCC=C)[H])=O)[H]
SPLASH splash10-002f-9600000000-99db2e65fae516deb888
Source of Spectrum G4-73-SM10-4
Wiley ID 1849004