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2(3H)-Benzofuranone, 7-(1,1-dimethylethyl)-3-[5-(1,1-dimethylethyl)-3,4-dihydroxy-2(5H)-furanylidene]-5-methoxy-, (E)-(.+-.)-
SpectraBase Compound ID E2SUJTioo1O
InChI InChI=1S/C21H26O6/c1-20(2,3)12-9-10(25-7)8-11-13(19(24)27-16(11)12)17-14(22)15(23)18(26-17)21(4,5)6/h8-9,18,22-23H,1-7H3/b17-13-
InChIKey DJOQTOQBECQKLN-LGMDPLHJSA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHx6izyu6rI
Name 2(3H)-Benzofuranone, 7-(1,1-dimethylethyl)-3-[5-(1,1-dimethylethyl)-3,4-dihydroxy-2(5H)-furanylidene]-5-methoxy-, (E)-(.+-.)-
CAS Registry Number 121816-94-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-20(2,3)12-9-10(25-7)8-11-13(19(24)27-16(11)12)17-14(22)15(23)18(26-17)21(4,5)6/h8-9,18,22-23H,1-7H3/b17-13-
InChIKey DJOQTOQBECQKLN-LGMDPLHJSA-N
Molecular Weight 374.433 g/mol
SMILES OC=1C(O\C(C1O)=C\1C(Oc2c1cc(cc2C(C)(C)C)OC)=O)C(C)(C)C
SPLASH splash10-0300-0039000000-41596956b74c2f23f4ab
Source of Spectrum KC-1989-137-18
Synonyms (3Z)-7-tert-butyl-3-(5-tert-butyl-3,4-dihydroxy-2(5H)-furanylidene)-5-methoxy-1-benzofuran-2(3H)-one (E)-3-(3',4'-dihydroxy-5'-t-butyl-2',5'-dihydrofuran-2'-ylidene)-5-methoxy-7-t-butyl-benzofuran-2(3H)-one
Wiley ID 1356653