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Phomopsolide A
SpectraBase Compound ID FKWnI2uhZzD
InChI InChI=1S/C15H18O6/c1-4-9(2)15(19)21-13-7-8-14(18)20-12(13)6-5-11(17)10(3)16/h4-8,10,12-13,16H,1-3H3/b6-5-,9-4+/t10?,12-,13-/m0/s1
InChIKey LJWPJGJLPBFTPH-UZXIAGNXSA-N
Mol Weight 294.3 g/mol
Molecular Formula C15H18O6
Exact Mass 294.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxkJ9ayEALE
Name Phomopsolide A
Alternate Name(s) (E)-2-methyl-2-butenoic acid [(2S,3S)-2-[(Z)-4-hydroxy-3-oxopent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] ester [(2S,3S)-2-[(Z)-4-hydroxy-3-oxopent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate [(2S,3S)-2-[(Z)-4-hydroxy-3-oxo-pent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate [(2S,3S)-6-oxidanylidene-2-[(Z)-4-oxidanyl-3-oxidanylidene-pent-1-enyl]-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate
CAS Registry Number 97529-83-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O6
InChI InChI=1S/C15H18O6/c1-4-9(2)15(19)21-13-7-8-14(18)20-12(13)6-5-11(17)10(3)16/h4-8,10,12-13,16H,1-3H3/b6-5-,9-4+/t10?,12-,13-/m0/s1
InChIKey LJWPJGJLPBFTPH-UZXIAGNXSA-N
Molecular Weight 294.303 g/mol
SMILES OC(C(\C=C/[C@@]1(OC(C=C[C@@]1(OC(\C(=C\C)C)=O)[H])=O)[H])=O)C
SPLASH splash10-0ff1-7900000000-c0bd5e6e46adbed2e0ee
Source of Spectrum KC-1985-867-2
Wiley ID 1296972