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Ceratopyrone B
SpectraBase Compound ID BGyUH8WjnYX
InChI InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-20(23-2)18-21(22)24-19/h5-8,17-18H,3-4,9-16H2,1-2H3/b6-5+,8-7+
InChIKey AYFKHCDPLUIRAR-BSWSSELBSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MnceAuG7wP
Name Ceratopyrone B
Alternate Name(s) 4-Methoxy-6-[(9E,11E)-9,11-pentadecadienyl]-2H-pyran-2-one 6-(Pentadeca-9',11'-dienyl)-4-methoxypyran-2-one
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Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-20(23-2)18-21(22)24-19/h5-8,17-18H,3-4,9-16H2,1-2H3/b6-5+,8-7+
InChIKey AYFKHCDPLUIRAR-BSWSSELBSA-N
Molecular Weight 332.484 g/mol
SMILES C=1C(OC(=CC1OC)CCCCCCCC\C=C\C=C\CCC)=O
SPLASH splash10-0ufu-3900000000-6aa6ef84aaa664a0e4d2
Source of Spectrum U-1995-84-2
Wiley ID 766381