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6-BETA,7-BETA,8-ALPHA,10-TETRA-PARA-HYDROXYBENZOYL-CIS-OXABICYCLO-[4.3.0]-NONAN-3-ONE

View entire compound with spectra: 1 NMR

6-BETA,7-BETA,8-ALPHA,10-TETRA-PARA-HYDROXYBENZOYL-CIS-OXABICYCLO-[4.3.0]-NONAN-3-ONE
SpectraBase Compound ID K0tNQrlHxs
InChI InChI=1S/C37H30O14/c38-24-9-1-20(2-10-24)33(43)48-19-37(51-36(46)23-7-15-27(41)16-8-23)29-18-47-30(42)17-28(29)31(49-34(44)21-3-11-25(39)12-4-21)32(37)50-35(45)22-5-13-26(40)14-6-22/h1-16,28-29,31-32,38-41H,17-19H2/t28-,29+,31+,32+,37+/m1/s1
InChIKey UAEQKVATBDZRJI-RUKYGARRSA-N
Mol Weight 698.6 g/mol
Molecular Formula C37H30O14
Exact Mass 698.163556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EVVazY7gE1z
Name 6-BETA,7-BETA,8-ALPHA,10-TETRA-PARA-HYDROXYBENZOYL-CIS-OXABICYCLO-[4.3.0]-NONAN-3-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H30O14
InChI InChI=1S/C37H30O14/c38-24-9-1-20(2-10-24)33(43)48-19-37(51-36(46)23-7-15-27(41)16-8-23)29-18-47-30(42)17-28(29)31(49-34(44)21-3-11-25(39)12-4-21)32(37)50-35(45)22-5-13-26(40)14-6-22/h1-16,28-29,31-32,38-41H,17-19H2/t28-,29+,31+,32+,37+/m1/s1
InChIKey UAEQKVATBDZRJI-RUKYGARRSA-N
Literature Reference Author M.G.VALLADARES,M.Y.RIOS
Literature Reference Citation J.NAT.PROD.,70,100(2007)
Literature Reference DOI 10.1021/np060499w
Molecular Weight 698.637 g/mol
Sample ID 29527
Solvent CDCl3