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2-Cyclopenten-1-one, 4-acetyl-3,4-dihydroxy-2-(3-methyl-2-butenyl)-5-(3-methyl-1-oxobutyl) -, cis-
SpectraBase Compound ID LLaFygnum8a
InChI InChI=1S/C17H24O5/c1-9(2)6-7-12-15(20)14(13(19)8-10(3)4)17(22,11(5)18)16(12)21/h6,10,14,21-22H,7-8H2,1-5H3/t14-,17-/m1/s1
InChIKey FMNLONUOSNPKCK-RHSMWYFYSA-N
Mol Weight 308.37 g/mol
Molecular Formula C17H24O5
Exact Mass 308.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YsODYpPiP4
Name 2-Cyclopenten-1-one, 4-acetyl-3,4-dihydroxy-2-(3-methyl-2-butenyl)-5-(3-methyl-1-oxobutyl) -, cis-
CAS Registry Number 70455-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O5
InChI InChI=1S/C17H24O5/c1-9(2)6-7-12-15(20)14(13(19)8-10(3)4)17(22,11(5)18)16(12)21/h6,10,14,21-22H,7-8H2,1-5H3/t14-,17-/m1/s1
InChIKey FMNLONUOSNPKCK-RHSMWYFYSA-N
Molecular Weight 308.374 g/mol
SMILES OC1=C(C([C@]([C@@]1(C(=O)C)O)(C(CC(C)C)=O)[H])=O)CC=C(C)C
SPLASH splash10-00kf-9240000000-0e75094cf81ea1963176
Source of Spectrum F-35-991-0
Synonyms (4R,5R)-4-acetyl-3,4-dihydroxy-5-(3-methylbutanoyl)-2-(3-methyl-2-butenyl)-2-cyclopenten-1-one cis-anti-acetylhumulinic acid
Wiley ID 1309770