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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

View entire 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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9wfAh307DQ
Name 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
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H46O5
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
Literature Reference Author L.A.DECOSTERD,H.STOECKLI-EVANS,J.C.CHAPUIS,B.SORDAT,K.HOSTET TMANN
Literature Reference Citation HELV.CHIM.ACTA,72,1833(1989)
Literature Reference DOI 10.1002/hlca.19890720820
Molecular Weight 498.703 g/mol
Solvent CDCl3
Source File Reference UWED11163