John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=16qcRIojxop SpectraBase Spectrum ID=7ot7Q13ZaFZ

(accessed ).
1-BETA-ISOBUTYRYLOXY-2-BETA,6-ALPHA,15-TRIACETOXY-9-ALPHA-BENZOYLOXY-4-ALPHA-HYDROXY-DIHYDRO-BETA-AGAROFURAN
SpectraBase Compound ID 16qcRIojxop
InChI InChI=1S/C32H42O12/c1-17(2)27(36)43-26-23(40-19(4)34)15-30(8,38)32-25(41-20(5)35)22(29(6,7)44-32)14-24(31(26,32)16-39-18(3)33)42-28(37)21-12-10-9-11-13-21/h9-13,17,22-26,38H,14-16H2,1-8H3/t22-,23+,24+,25-,26+,30+,31-,32+/m1/s1
InChIKey YVIPLCOAOKLXGX-SKFBFMKNSA-N
Mol Weight 618.7 g/mol
Molecular Formula C32H42O12
Exact Mass 618.267627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ot7Q13ZaFZ
Name 1-BETA-ISOBUTYRYLOXY-2-BETA,6-ALPHA,15-TRIACETOXY-9-ALPHA-BENZOYLOXY-4-ALPHA-HYDROXY-DIHYDRO-BETA-AGAROFURAN
Compound Number 1
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H42O12
InChI InChI=1S/C32H42O12/c1-17(2)27(36)43-26-23(40-19(4)34)15-30(8,38)32-25(41-20(5)35)22(29(6,7)44-32)14-24(31(26,32)16-39-18(3)33)42-28(37)21-12-10-9-11-13-21/h9-13,17,22-26,38H,14-16H2,1-8H3/t22-,23+,24+,25-,26+,30+,31-,32+/m1/s1
InChIKey YVIPLCOAOKLXGX-SKFBFMKNSA-N
Literature Reference Author J.HOHMANN,Z.DINI,I.PELCZER,G.JERKOVICH
Literature Reference Citation PHYTOCHEM.,35,1267(1994)
Literature Reference DOI 10.1016/S0031-9422(00)94834-9
Molecular Weight 618.678 g/mol
Solvent CDCl3
Source File Reference UWMS24503
SpectraBase Batch ID 5Lsd4YRrfJ4