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Strobilurin E

View entire compound with spectra: 1 MS (GC)

Strobilurin E
SpectraBase Compound ID 3yZbJejiwpY
InChI InChI=1S/C26H32O7/c1-17(2)13-23-32-25(4,5)26(33-23)16-30-21-12-11-19(14-22(21)31-26)10-8-9-18(3)20(15-28-6)24(27)29-7/h8-15,23H,16H2,1-7H3/b10-8+,18-9-,20-15+/t23-,26-/m0/s1
InChIKey UKZBFRLDRGPOEJ-OKMGOCAHSA-N
Mol Weight 456.5 g/mol
Molecular Formula C26H32O7
Exact Mass 456.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pHmZcVZOS
Name Strobilurin E
Alternate Name(s) (2E,3Z,5E)-6-[(2S,4S)-5,5-dimethyl-2-(2-methylprop-1-enyl)-6'-spiro[1,3-dioxolane-4,3'-2H-1,4-benzodioxin]yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoic acid methyl ester Methyl (2E,3Z,5E)-6-[(2S,4S)-5,5-dimethyl-2-(2-methylprop-1-enyl)spiro[1,3-dioxolane-4,3'-2H-1,4-benzodioxine]-6'-yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate Methyl (2E,3Z,5E)-6-[(2S,4S)-5,5-dimethyl-2-(2-methylprop-1-enyl)spiro[1,3-dioxolane-4,3'-2H-1,4-benzodioxine]-6'-yl]-2-(methoxymethylene)-3-methyl-hexa-3,5-dienoate Methyl (2E,3Z,5E)-6-[(2S,4S)-5,5-dimethyl-2-(2-methylprop-1-enyl)spiro[1,3-dioxolane-4,3'-2H-1,4-benzodioxine]-6'-yl]-2-(methoxymethylidene)-3-methyl-hexa-3,5-dienoate
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Formula C26H32O7
InChI InChI=1S/C26H32O7/c1-17(2)13-23-32-25(4,5)26(33-23)16-30-21-12-11-19(14-22(21)31-26)10-8-9-18(3)20(15-28-6)24(27)29-7/h8-15,23H,16H2,1-7H3/b10-8+,18-9-,20-15+/t23-,26-/m0/s1
InChIKey UKZBFRLDRGPOEJ-OKMGOCAHSA-N
Molecular Weight 456.535 g/mol
SMILES [C@@]12(O[C@](C=C(C)C)([H])OC2(C)C)Oc2cc(\C=C\C=C/(\C(C(=O)OC)=C/OC)C)ccc2OC1
SPLASH splash10-0a4r-7462900000-c0c2501c508d55571939
Source of Spectrum AT-37-7958-1
Wiley ID 853712