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O-Acetylstrobilurin I
SpectraBase Compound ID IDlibag6b1V
InChI InChI=1S/C23H28O7/c1-15(18(13-26-5)22(25)27-6)8-7-9-17-10-11-19-20(12-17)30-23(3,4)21(14-28-19)29-16(2)24/h7-13,21H,14H2,1-6H3/b9-7+,15-8-,18-13+/t21-/m0/s1
InChIKey PIWCOFLXEJILJI-WPXMIICMSA-N
Mol Weight 416.47 g/mol
Molecular Formula C23H28O7
Exact Mass 416.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdcyY1iw1ha
Name O-Acetylstrobilurin I
Alternate Name(s) (3Z,5E)-6-((S)-3-Acetoxy-4,4-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-[1-methoxy-meth-(E)-ylidene]-3-methyl-hexa-3,5-dienoic acid methylester Methyl (2E,3Z,5E)-6-[(3S)-3-(acetyloxy)-4,4-dimethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]-2-(methoxymethylene)-3-methyl-3,5-hexadienoate
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Formula C23H28O7
InChI InChI=1S/C23H28O7/c1-15(18(13-26-5)22(25)27-6)8-7-9-17-10-11-19-20(12-17)30-23(3,4)21(14-28-19)29-16(2)24/h7-13,21H,14H2,1-6H3/b9-7+,15-8-,18-13+/t21-/m0/s1
InChIKey PIWCOFLXEJILJI-WPXMIICMSA-N
Molecular Weight 416.470 g/mol
SMILES C(\C(\C(=C/C=C/c1cc2OC([C@@](OC(=O)C)(COc2cc1)[H])(C)C)C)=C\OC)(=O)OC
SPLASH splash10-016r-0041900000-4839b34ceee4085c7aa5
Source of Spectrum F-55-10111-2
Wiley ID 838905