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2-Cyclopenten-1-one, 3,4-dihydroxy-4-(1-hydroxy-4-methyl-3-pentenyl)-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-
SpectraBase Compound ID K5XMYNqDxhb
InChI InChI=1S/C21H32O5/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/h7-8,14-15,17,23,25-26H,9-11H2,1-6H3
InChIKey LOONUJJGHHFUCE-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiA6DFBwTKI
Name 2-Cyclopenten-1-one, 3,4-dihydroxy-4-(1-hydroxy-4-methyl-3-pentenyl)-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-
CAS Registry Number 16892-01-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O5
InChI InChI=1S/C21H32O5/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/h7-8,14-15,17,23,25-26H,9-11H2,1-6H3
InChIKey LOONUJJGHHFUCE-UHFFFAOYSA-N
Molecular Weight 364.482 g/mol
SMILES OC(C1(C(=C(C(C1CC=C(C)C)=O)C(CC(C)C)=O)O)O)CC=C(C)C
SPLASH splash10-05mp-9410000000-dae60e721a77a29260c4
Source of Spectrum AD-0-338-0
Synonyms .rho.-Isohumulone A2 3,4-Dihydroxy-4-(1-hydroxy-4-methyl-3-pentenyl)-2-(3-methylbutanoyl)-5-(3-methyl-2-butenyl)-2-cyclopenten-1-one 3,4-Dihydroxy-4-(1-hydroxy-4-methyl-pent-3-enyl)-2-isovaleryl-5-(3-methylbut-2-enyl)cyclopent-2-en-1-one .rho.-Isohumulone A1 .rho.-Isohumulone B2 2-Cyclopenten-1-one, 3,4-dihydroxy-4-(1-hydroxy-4-methyl-3-pentenyl)-2-isovaleryl-5-(3-methyl-2-butenyl)-, stereoisomer 3,4-Dihydroxy-4-(1-hydroxy-4-methylpent-3-enyl)-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-1-cyclopent-2-enone Rho-isohumulone B2 Rho-isohumulone A1 2-(3-Methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methyl-1-oxidanyl-pent-3-enyl)-3,4-bis(oxidanyl)cyclopent-2-en-1-one 3,4-Dihydroxy-4-(1-hydroxy-4-methyl-pent-3-enyl)-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)cyclopent-2-en-1-one 3,4-Dihydroxy-4-(1-hydroxy-4-methylpent-3-enyl)-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)cyclopent-2-en-1-one
Wiley ID 53686