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Ceratopyrone D
SpectraBase Compound ID Fq13pnV9BJz
InChI InChI=1S/C23H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-22(25-2)20-23(24)26-21/h5-8,11-14,19-20H,3-4,9-10,15-18H2,1-2H3/b6-5+,8-7+,12-11+,14-13+
InChIKey VJXCRRDKVZGHIV-UVHOCLKUSA-N
Mol Weight 356.5 g/mol
Molecular Formula C23H32O3
Exact Mass 356.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgNCsDYai0q
Name Ceratopyrone D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O3
InChI InChI=1S/C23H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-22(25-2)20-23(24)26-21/h5-8,11-14,19-20H,3-4,9-10,15-18H2,1-2H3/b6-5+,8-7+,12-11+,14-13+
InChIKey VJXCRRDKVZGHIV-UVHOCLKUSA-N
Molecular Weight 356.506 g/mol
SMILES C=1C(OC(=CC1OC)CCCC\C=C\C=C\CC\C=C\C=C\CCC)=O
SPLASH splash10-0lfu-5900000000-440247c3da0fef8db596
Source of Spectrum U-1995-85-4
Synonyms 6-(Heptadeca-5',7',11',13'-tetraenyl)-4-methoxypyran-2-one 6-[(5E,7E,11E,13E)-5,7,11,13-heptadecatetraenyl]-4-methoxy-2H-pyran-2-one
Wiley ID 766379