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3,5-DIHYDROXY-4[[(1R*,2S*,5S*)-2-HYDROXY-2-METHYL-5(1-METHYLETHENYL)CYCLOPENTYL]METHYL]-2(2-METHYLBUTANOYL)-6,6-BIS(3-METHYLBUT-2-ENYL)CYCLOHEXA-2,4-DIEN-1-ONE

Compound with spectra: 1 NMR

3,5-DIHYDROXY-4[[(1R*,2S*,5S*)-2-HYDROXY-2-METHYL-5(1-METHYLETHENYL)CYCLOPENTYL]METHYL]-2(2-METHYLBUTANOYL)-6,6-BIS(3-METHYLBUT-2-ENYL)CYCLOHEXA-2,4-DIEN-1-ONE
SpectraBase Compound ID EiMnjKQhPIa
InChI InChI=1S/C31H46O5/c1-10-21(8)26(32)25-27(33)23(17-24-22(20(6)7)13-14-30(24,9)36)28(34)31(29(25)35,15-11-18(2)3)16-12-19(4)5/h11-12,21-22,24,33-34,36H,6,10,13-17H2,1-5,7-9H3/t21?,22-,24-,30+/m1/s1
InChIKey PTYYTHUFRGDPSB-HUEBLCBWSA-N
Mol Weight 498.7 g/mol
Molecular Formula C31H46O5
Exact Mass 498.334525 g/mol
Enantiomer InChIKey PTYYTHUFRGDPSB-HLPOUNCESA-N

View Spectrum of 3,5-DIHYDROXY-4[[(1R*,2S*,5S*)-2-HYDROXY-2-METHYL-5(1-METHYLETHENYL)CYCLOPENTYL]METHYL]-2(2-METHYLBUTANOYL)-6,6-BIS(3-METHYLBUT-2-ENYL)CYCLOHEXA-2,4-DIEN-1-ONE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
HYPERCALIN-C
CHINESIN-I
3,5-DIHYDROXY-4[[(1R*,2S*,5S*)-2-HYDROXY-2-METHYL-5(1-METHYLETHENYL)CYCLOPENTYL]METHYL)-2(3-METHYLBUTANOYL)-6,6-BIS(3-METHYLBUT-2-ENYL)CYCLOHEXA-2,4-DIEN-1-ONE
CHINESIN-2
CHINESIN-II
HYPERCALIN-A
7-[(2E)-[3',7'-Dimethylocta-2',6'-dien-1'-yl]-3,7-dihydro-4'-hydroxy-7-[(2Z)-4''-hydroxy-3''-methylbut-2''-en-1''-yl]-2-(1-hydroxy-1-methylethyl)-5-(2"-methyl-1"-oxopropyl)-benzofuran-6(2H)-one
LUPULONE_C
8-OXY-BERBERRUBINE;NATURAL;REFERENCES
IXERISOSIDE-N
Title Journal or Book Year
New Cell Growth-Inhibitory Cyclohexadienone Derivatives fromHypericum calycinum L. Helvetica Chimica Acta 1989
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