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2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-
SpectraBase Compound ID 8SdY0tODnig
InChI InChI=1S/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3
InChIKey QARXXMMQVDCYGZ-UHFFFAOYSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 297F54DSTi7
Name 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-
CAS Registry Number 25522-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3
InChIKey QARXXMMQVDCYGZ-UHFFFAOYSA-N
Molecular Weight 362.466 g/mol
SMILES OC1(C(C(C(=C1O)C(CC(C)C)=O)=O)CC=C(C)C)C(CC=C(C)C)=O
SPLASH splash10-00kb-9440000000-f4ff04158d3f7e59a402
Source of Spectrum OS-6-332-0
Synonyms 3,4-Dihydroxy-2-(3-methylbutanoyl)-5-(3-methyl-2-butenyl)-4-(4-methyl-3-pentenoyl)-2-cyclopenten-1-one 2-(3-Methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)-3,4-bis(oxidanyl)cyclopent-2-en-1-one 3,4-Dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one 3,4-Dihydroxy-2-isovaleryl-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one 3,4-Dihydroxy-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)-1-cyclopent-2-enone Cis-isohumulone 3,4-Dihydroxy-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)cyclopent-2-en-1-one 3-Penten-1-one, 1-[1,2-dihydroxy-3-isovaleryl-5-(3-methyl-2-butenyl)-4-oxo-2-cyclopenten-1-yl]-4-methyl- Isohumulone trans-Isohumulone EINECS 247-072-1
Wiley ID 1349733