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4-HYDROXY-5-METHOXY-8,8-DIMETHYL-3-(3',4'-METHYLENE-DIOXYPHENYL)-2H,8H-BENZO-[1,2-B:5,4-B']-DIPYRAN-2-ONE;ROBUSTIN
SpectraBase Compound ID KrgxRaIzXnK
InChI InChI=1S/C22H18O7/c1-22(2)7-6-12-14(29-22)9-16-18(20(12)25-3)19(23)17(21(24)28-16)11-4-5-13-15(8-11)27-10-26-13/h4-9,23H,10H2,1-3H3
InChIKey LCSCNPZJBMHOJH-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 GM2RFwEWnqJ
Name 4-Hydroxy-5-methoxy-8,8-dimethyl-3-(3',4'-methylenedioxyphenyl)-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O7
InChI InChI=1S/C22H18O7/c1-22(2)7-6-12-14(29-22)9-16-18(20(12)25-3)19(23)17(21(24)28-16)11-4-5-13-15(8-11)27-10-26-13/h4-9,23H,10H2,1-3H3
InChIKey LCSCNPZJBMHOJH-UHFFFAOYSA-N
Molecular Weight 394.379 g/mol
SMILES OC=1c2c(c3C=CC(Oc3cc2OC(C1c1cc2c(OCO2)cc1)=O)(C)C)OC
SPLASH splash10-00pl-4159000000-6890184cc378ba761fb8
Source of Spectrum KC-0-2534-1
Synonyms Robustin 7-(1,3-benzodioxol-5-yl)-6-hydroxy-5-methoxy-2,2-dimethyl-8-pyrano[3,2-g][1]benzopyranone 7-(1,3-benzodioxol-5-yl)-6-hydroxy-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one 7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethyl-6-oxidanyl-pyrano[3,2-g]chromen-8-one
Wiley ID 784489