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1-BETA,8-ALPHA,13-TRIACETOXY-9-BETA-BENZOYLOXY-BETA-DIHYDROAGAROFURAN
SpectraBase Compound ID BIwdlIK9gGY
InChI InChI=1S/C28H36O9/c1-16-12-13-22(34-18(3)30)27(15-33-17(2)29)24(36-25(32)20-10-8-7-9-11-20)23(35-19(4)31)21-14-28(16,27)37-26(21,5)6/h7-11,16,21-24H,12-15H2,1-6H3/t16-,21+,22+,23+,24-,27+,28+/m1/s1
InChIKey IQDZWOJJMIPGTJ-UVMSVNPBSA-N
Mol Weight 516.6 g/mol
Molecular Formula C28H36O9
Exact Mass 516.235933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID W94KlvT1B8
Name 1-BETA,8-ALPHA,13-TRIACETOXY-9-BETA-BENZOYLOXY-BETA-DIHYDROAGAROFURAN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36O9
InChI InChI=1S/C28H36O9/c1-16-12-13-22(34-18(3)30)27(15-33-17(2)29)24(36-25(32)20-10-8-7-9-11-20)23(35-19(4)31)21-14-28(16,27)37-26(21,5)6/h7-11,16,21-24H,12-15H2,1-6H3/t16-,21+,22+,23+,24-,27+,28+/m1/s1
InChIKey IQDZWOJJMIPGTJ-UVMSVNPBSA-N
Literature Reference Author Y.Q.TU,Y.J.HU,W.J.WU,N.Y.CHEN,X.F.PAN
Literature Reference Citation PHYTOCHEM.,31,3633(1992)
Literature Reference DOI 10.1016/0031-9422(92)83743-I
Molecular Weight 516.588 g/mol
Solvent CDCl3
Source File Reference UWMS27197