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4-Hydroxy-5-methoxy-3-(3,4-methylenedioxyphenyl)-8,8-dimethyl-2H,8H-benzo[1,2-b:13,4-b']dipyran-2-one
SpectraBase Compound ID F0twgoznPu5
InChI InChI=1S/C22H18O7/c1-22(2)7-6-12-14(29-22)9-16(25-3)18-19(23)17(21(24)28-20(12)18)11-4-5-13-15(8-11)27-10-26-13/h4-9,23H,10H2,1-3H3
InChIKey IPSRAWJCFVMJBQ-UHFFFAOYSA-N
Mol Weight 394.38 g/mol
Molecular Formula C22H18O7
Exact Mass 394.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mqywUHwhr2
Name 4-Hydroxy-5-methoxy-3-(3,4-methylenedioxyphenyl)-8,8-dimethyl-2H,8H-benzo[1,2-b:13,4-b']dipyran-2-one
Alternate Name(s) Isorobustin 3-(1,3-benzodioxol-5-yl)-4-hydroxy-5-methoxy-8,8-dimethyl-2-pyrano[2,3-h][1]benzopyranone 3-(1,3-benzodioxol-5-yl)-4-hydroxy-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-2-one 3-(1,3-benzodioxol-5-yl)-5-methoxy-8,8-dimethyl-4-oxidanyl-pyrano[2,3-h]chromen-2-one
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Formula C22H18O7
InChI InChI=1S/C22H18O7/c1-22(2)7-6-12-14(29-22)9-16(25-3)18-19(23)17(21(24)28-20(12)18)11-4-5-13-15(8-11)27-10-26-13/h4-9,23H,10H2,1-3H3
InChIKey IPSRAWJCFVMJBQ-UHFFFAOYSA-N
Molecular Weight 394.379 g/mol
SMILES OC=1c2c(c3C=CC(Oc3cc2OC)(C)C)OC(C1c1cc2c(OCO2)cc1)=O
SPLASH splash10-0036-0129000000-3dd32e2ba3f66a19686f
Source of Spectrum KB-1992-1374-4
Wiley ID 775745