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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-2-pentenyl)-
SpectraBase Compound ID JdaWITLZlt0
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/h7-8,10,13-15,25-26H,9,11H2,1-6H3/b10-8+
InChIKey REOAFLKDMUDWNA-CSKARUKUSA-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 3p25NS1X8ru
Name 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-2-pentenyl)-
CAS Registry Number 57195-47-8
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/h7-8,10,13-15,25-26H,9,11H2,1-6H3/b10-8+
InChIKey REOAFLKDMUDWNA-CSKARUKUSA-N
Molecular Weight 362.466 g/mol
SMILES OC=1C(C(C(C1C(CC(C)C)=O)=O)CC=C(C)C)(O)C(=O)\C=C\C(C)C
SPLASH splash10-05mp-9110000000-c63c2f20d46da1565788
Source of Spectrum OS-6-363-0
Synonyms 3,4-Dihydroxy-2-(3-methylbutanoyl)-5-(3-methyl-2-butenyl)-4-[(2E)-4-methyl-2-pentenoyl]-2-cyclopenten-1-one 2-(3-Methylbutanoyl)-5-(3-methylbut-2-enyl)-4-[(E)-4-methylpent-2-enoyl]-3,4-bis(oxidanyl)cyclopent-2-en-1-one 3,4-Dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-[(E)-4-methylpent-2-enoyl]cyclopent-2-en-1-one 3,4-Dihydroxy-2-isovaleryl-5-(3-methylbut-2-enyl)-4-[(E)-4-methylpent-2-enoyl]cyclopent-2-en-1-one 3,4-Dihydroxy-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-4-[(E)-4-methyl-1-oxopent-2-enyl]-1-cyclopent-2-enone Allo-isohumulone
Wiley ID 1349725