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Dimethyl (2Z,6E)-2-(3',4'-dihydroxy-4'-methylpentyl-6-[3"-(furan-3"'-yl)propylidene]hept-2-enedioate
SpectraBase Compound ID AmYwCITMEj9
InChI InChI=1S/C22H32O7/c1-22(2,26)19(23)12-11-18(21(25)28-4)10-6-9-17(20(24)27-3)8-5-7-16-13-14-29-15-16/h8,10,13-15,19,23,26H,5-7,9,11-12H2,1-4H3/b17-8+,18-10-/t19-/m0/s1
InChIKey WILPRVDBMLKDJM-QRAIHLCSSA-N
Mol Weight 408.5 g/mol
Molecular Formula C22H32O7
Exact Mass 408.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hoS1XWcCZj
Name Dimethyl (2Z,6E)-2-(3',4'-dihydroxy-4'-methylpentyl-6-[3"-(furan-3"'-yl)propylidene]hept-2-enedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O7
InChI InChI=1S/C22H32O7/c1-22(2,26)19(23)12-11-18(21(25)28-4)10-6-9-17(20(24)27-3)8-5-7-16-13-14-29-15-16/h8,10,13-15,19,23,26H,5-7,9,11-12H2,1-4H3/b17-8+,18-10-/t19-/m0/s1
InChIKey WILPRVDBMLKDJM-QRAIHLCSSA-N
Molecular Weight 408.491 g/mol
SMILES OC([C@](CC\C(C(=O)OC)=C\CC\C(C(=O)OC)=C/CCc1cocc1)(O)[H])(C)C
SPLASH splash10-001i-9210000000-5998f89a3a915f10268a
Source of Spectrum G4-71-193-8
Synonyms (Z,6E)-2-[(3S)-3,4-dihydroxy-4-methylpentyl]-6-[3-(3-furanyl)propylidene]-2-heptenedioic acid dimethyl ester Dimethyl (Z,6E)-2-[(3S)-3,4-dihydroxy-4-methylpentyl]-6-[3-(furan-3-yl)propylidene]hept-2-enedioate Dimethyl (Z,6E)-2-[(3S)-3,4-dihydroxy-4-methyl-pentyl]-6-[3-(3-furyl)propylidene]hept-2-enedioate Dimethyl (Z,6E)-6-[3-(furan-3-yl)propylidene]-2-[(3S)-4-methyl-3,4-bis(oxidanyl)pentyl]hept-2-enedioate
Wiley ID 1695263