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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
SpectraBase Compound ID 6Ri8DdPHen
InChI InChI=1S/C31H46O5/c1-18(2)10-14-31(15-11-19(3)4)28(34)23(17-24-22(21(7)8)12-13-30(24,9)36)27(33)26(29(31)35)25(32)16-20(5)6/h10-11,20,22,24,33-34,36H,7,12-17H2,1-6,8-9H3/t22-,24-,30-/m1/s1
InChIKey CQSNGMUTSWOJCX-WPJFONKGSA-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 FKNVpMQH0D6
Name 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
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H46O5
InChI InChI=1S/C31H46O5/c1-18(2)10-14-31(15-11-19(3)4)28(34)23(17-24-22(21(7)8)12-13-30(24,9)36)27(33)26(29(31)35)25(32)16-20(5)6/h10-11,20,22,24,33-34,36H,7,12-17H2,1-6,8-9H3/t22-,24-,30-/m1/s1
InChIKey CQSNGMUTSWOJCX-WPJFONKGSA-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 UWED11164