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Strobilurin K

View entire compound with spectra: 1 MS (GC)

Strobilurin K
SpectraBase Compound ID 4gs0cy0Ol8k
InChI InChI=1S/C26H34O6/c1-9-25(3,4)32-23-17-30-21-14-13-19(15-22(21)31-26(23,5)6)12-10-11-18(2)20(16-28-7)24(27)29-8/h9-16,23H,1,17H2,2-8H3/b12-10+,18-11-,20-16+/t23-/m0/s1
InChIKey JGFBUHLBEGJYBL-BIVICCASSA-N
Mol Weight 442.6 g/mol
Molecular Formula C26H34O6
Exact Mass 442.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBhKr3v10YA
Name Strobilurin K
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O6
InChI InChI=1S/C26H34O6/c1-9-25(3,4)32-23-17-30-21-14-13-19(15-22(21)31-26(23,5)6)12-10-11-18(2)20(16-28-7)24(27)29-8/h9-16,23H,1,17H2,2-8H3/b12-10+,18-11-,20-16+/t23-/m0/s1
InChIKey JGFBUHLBEGJYBL-BIVICCASSA-N
Molecular Weight 442.552 g/mol
SMILES C(\C(\C(=C/C=C/c1cc2OC([C@@](OC(C=C)(C)C)(COc2cc1)[H])(C)C)C)=C\OC)(=O)OC
SPLASH splash10-0006-0000900000-ed958ac8569b763397e7
Source of Spectrum F-55-10116-19
Synonyms (3Z,5E)-6-[(S)-3-(1,1-Dimethyl-allyloxy)-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-dienoicacid methyl ester Methyl (2E,3Z,5E)-6-{(3S)-3-[(1,1-dimethyl-2-propenyl)oxy]-4,4-dimethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl}-2-(methoxymethylene)-3-methyl-3,5-hexadienoate (2E,3Z,5E)-6-[(3S)-4,4-dimethyl-3-(2-methylbut-3-en-2-yloxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoic acid methyl ester Methyl (2E,3Z,5E)-6-[(3S)-4,4-dimethyl-3-(2-methylbut-3-en-2-yloxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate Methyl (2E,3Z,5E)-6-[(3S)-3-(1,1-dimethylallyloxy)-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylene)-3-methyl-hexa-3,5-dienoate Methyl (2E,3Z,5E)-6-[(3S)-4,4-dimethyl-3-(2-methylbut-3-en-2-yloxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methyl-hexa-3,5-dienoate
Wiley ID 838893