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JUNCUENIN_C

View entire compound with spectra: 1 NMR, and 1 MS (GC)

JUNCUENIN_C
SpectraBase Compound ID 1ioORaTZUjI
InChI InChI=1S/C18H16O4/c1-3-10-12-5-4-11-9(2)15(19)7-6-13(11)14(12)8-16(20)17(10)18(21)22/h3,6-8,19-20H,1,4-5H2,2H3,(H,21,22)
InChIKey DHTDQIZTXZNGCV-UHFFFAOYSA-N
Mol Weight 296.32 g/mol
Molecular Formula C18H16O4
Exact Mass 296.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lsb4B2zGBee
Name 1-Methyl-8-vinyl-2,6-dihydroxy-9,10-dihydrophenanthrene-7-carboxylic Acid
Alternate Name(s) Juncuenin C 1-Ethenyl-3,7-dihydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid 1-Ethenyl-8-methyl-3,7-bis(oxidanyl)-9,10-dihydrophenanthrene-2-carboxylic acid
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Formula C18H16O4
InChI InChI=1S/C18H16O4/c1-3-10-12-5-4-11-9(2)15(19)7-6-13(11)14(12)8-16(20)17(10)18(21)22/h3,6-8,19-20H,1,4-5H2,2H3,(H,21,22)
InChIKey DHTDQIZTXZNGCV-UHFFFAOYSA-N
Molecular Weight 296.322 g/mol
SMILES Oc1cc2-c3c(CCc2c(c1C(=O)O)C=C)c(c(cc3)O)C
SPLASH splash10-0udr-0090000000-183bb764215a9587c73d
Source of Spectrum G4-72-1211-3
Wiley ID 1702169