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Promalabaricone C
SpectraBase Compound ID BlqdBIOCp3A
InChI InChI=1S/C21H28O6/c22-15-12-19(26)21(20(27)13-15)17(24)8-6-4-2-1-3-5-7-14-9-10-16(23)18(25)11-14/h9-11,15,22-23,25-26H,1-8,12-13H2
InChIKey VNUOQDKYXMTUDP-UHFFFAOYSA-N
Mol Weight 376.45 g/mol
Molecular Formula C21H28O6
Exact Mass 376.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TZvOaJfzk
Name Promalabaricone C
Alternate Name(s) 2-[9-(3,4-dihydroxyphenyl)nonanoyl]-3,5-dihydroxy-2-cyclohexen-1-one
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Formula C21H28O6
InChI InChI=1S/C21H28O6/c22-15-12-19(26)21(20(27)13-15)17(24)8-6-4-2-1-3-5-7-14-9-10-16(23)18(25)11-14/h9-11,15,22-23,25-26H,1-8,12-13H2
InChIKey VNUOQDKYXMTUDP-UHFFFAOYSA-N
Molecular Weight 376.449 g/mol
SMILES OC1CC(=C(C(CCCCCCCCc2ccc(c(c2)O)O)=O)C(C1)=O)O
SPLASH splash10-022i-0911000000-47ea543c48d93f2e7943
Source of Spectrum F-56-1712-2
Wiley ID 856141