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1-BETA,6-ALPHA,9-ALPHA-TRIBENZOYLOXY-4-ALPHA-HYDROXYL-BETA-DIHYDROAGAROFURAN
SpectraBase Compound ID 2100bhcOEk8
InChI InChI=1S/C36H38O8/c1-33(2)26-22-28(42-31(38)24-16-10-6-11-17-24)35(4)27(41-30(37)23-14-8-5-9-15-23)20-21-34(3,40)36(35,44-33)29(26)43-32(39)25-18-12-7-13-19-25/h5-19,26-29,40H,20-22H2,1-4H3/t26-,27+,28+,29-,34+,35+,36+/m0/s1
InChIKey CJYIAYUOILJEDM-JGQIAARCSA-N
Mol Weight 598.7 g/mol
Molecular Formula C36H38O8
Exact Mass 598.256668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GWYS9jQ1saV
Name 1-BETA,6-ALPHA,9-ALPHA-TRIBENZOYLOXY-4-ALPHA-HYDROXYL-BETA-DIHYDROAGAROFURAN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H38O8
InChI InChI=1S/C36H38O8/c1-33(2)26-22-28(42-31(38)24-16-10-6-11-17-24)35(4)27(41-30(37)23-14-8-5-9-15-23)20-21-34(3,40)36(35,44-33)29(26)43-32(39)25-18-12-7-13-19-25/h5-19,26-29,40H,20-22H2,1-4H3/t26-,27+,28+,29-,34+,35+,36+/m0/s1
InChIKey CJYIAYUOILJEDM-JGQIAARCSA-N
Literature Reference Author K.ZHANG,Y.WANG,Y.CHEN,Y.TU,H.JING,H.HUIMIN,H.XIAOFENG,F.JINS ONG
Literature Reference Citation PHYTOCHEM.,48,1067(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00979-5
Molecular Weight 598.693 g/mol
Solvent CDCl3
Source File Reference UWMS1351