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Tetrahydroisocohumulone
SpectraBase Compound ID Gthxpw2N3bm
InChI InChI=1S/C20H32O5/c1-11(2)7-9-14-18(23)16(17(22)13(5)6)19(24)20(14,25)15(21)10-8-12(3)4/h11-14,24-25H,7-10H2,1-6H3
InChIKey CRWKJKKCCCAXET-UHFFFAOYSA-N
Mol Weight 352.5 g/mol
Molecular Formula C20H32O5
Exact Mass 352.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeSRRja925L
Name Tetrahydroisocohumulone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O5
InChI InChI=1S/C20H32O5/c1-11(2)7-9-14-18(23)16(17(22)13(5)6)19(24)20(14,25)15(21)10-8-12(3)4/h11-14,24-25H,7-10H2,1-6H3
InChIKey CRWKJKKCCCAXET-UHFFFAOYSA-N
Molecular Weight 352.471 g/mol
SMILES OC1(C(C(C(=C1O)C(=O)C(C)C)=O)CCC(C)C)C(=O)CCC(C)C
SPLASH splash10-0ue9-8290000000-65b3a94ed6cdc1e222a3
Source of Spectrum OS-6-333-0
Synonyms 3,4-Dihydroxy-2-isobutyryl-5-isopentyl-4-(4-methylpentanoyl)-2-cyclopenten-1-one 3,4-Dihydroxy-5-(3-methylbutyl)-4-(4-methyl-1-oxopentyl)-2-(2-methyl-1-oxopropyl)-1-cyclopent-2-enone 3,4-Dihydroxy-5-(3-methylbutyl)-4-(4-methylpentanoyl)-2-(2-methylpropanoyl)cyclopent-2-en-1-one 3,4-Dihydroxy-5-isopentyl-4-(4-methylpentanoyl)-2-(2-methylpropanoyl)cyclopent-2-en-1-one 5-(3-Methylbutyl)-4-(4-methylpentanoyl)-2-(2-methylpropanoyl)-3,4-bis(oxidanyl)cyclopent-2-en-1-one
Wiley ID 1343312