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1-Butanone, 3-methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-butenyl)-1,4-cyclopentadien-1-yl]-
SpectraBase Compound ID 7Xp2vzxZlOU
InChI InChI=1S/C15H22O4/c1-8(2)5-6-10-13(17)12(15(19)14(10)18)11(16)7-9(3)4/h5,9,14,17-19H,6-7H2,1-4H3
InChIKey VRBDOLKCKSULIG-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nbzXpazNkI
Name 1-Butanone, 3-methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-butenyl)-1,4-cyclopentadien-1-yl]-
CAS Registry Number 520-40-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-8(2)5-6-10-13(17)12(15(19)14(10)18)11(16)7-9(3)4/h5,9,14,17-19H,6-7H2,1-4H3
InChIKey VRBDOLKCKSULIG-UHFFFAOYSA-N
Molecular Weight 266.337 g/mol
SMILES OC1=C(C(C(=C1C(=O)CC(C)C)O)O)CC=C(C)C
SPLASH splash10-0006-9310000000-ac7166b1d644da58219e
Source of Spectrum JZ-1992-2165-0
Synonyms 3-Methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-butenyl)-1,4-cyclopentadien-1-yl]-1-butanone 3-Methyl-1-[2,3,5-trihydroxy-4-(3-methylbut-2-enyl)-1-cyclopenta-1,4-dienyl]-1-butanone 3-Methyl-1-[2,3,5-trihydroxy-4-(3-methylbut-2-enyl)cyclopenta-1,4-dien-1-yl]butan-1-one 3-Methyl-1-[4-(3-methylbut-2-enyl)-2,3,5-tris(oxidanyl)cyclopenta-1,4-dien-1-yl]butan-1-one Humulinic acid
Wiley ID 1270007