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(2R*,3R*,4S*,5R*,6R*,8R*,12R*,13S*,14R*,15R*)-2,5,14-TRIACETOXY-3-BENZOYLOXY-15-HYDROXY-9-OXO-PARALIANE

View entire compound with spectra: 1 NMR

(2R*,3R*,4S*,5R*,6R*,8R*,12R*,13S*,14R*,15R*)-2,5,14-TRIACETOXY-3-BENZOYLOXY-15-HYDROXY-9-OXO-PARALIANE
SpectraBase Compound ID Hic2xbF1ATt
InChI InChI=1S/C33H42O10/c1-17(34)40-25-23-26(42-27(38)20-12-10-9-11-13-20)31(7,43-19(3)36)16-33(23,39)28(41-18(2)35)32(8)22-15-29(4,5)24(37)21(22)14-30(25,32)6/h9-13,21-23,25-26,28,39H,14-16H2,1-8H3/t21-,22-,23+,25-,26-,28-,30+,31-,32-,33-/m1/s1
InChIKey QMDCSQIUKQLIEO-WJGCSBISSA-N
Mol Weight 598.7 g/mol
Molecular Formula C33H42O10
Exact Mass 598.277798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21IrRhmTR4b
Name (2R*,3R*,4S*,5R*,6R*,8R*,12R*,13S*,14R*,15R*)-2,5,14-TRIACETOXY-3-BENZOYLOXY-15-HYDROXY-9-OXO-PARALIANE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H42O10
InChI InChI=1S/C33H42O10/c1-17(34)40-25-23-26(42-27(38)20-12-10-9-11-13-20)31(7,43-19(3)36)16-33(23,39)28(41-18(2)35)32(8)22-15-29(4,5)24(37)21(22)14-30(25,32)6/h9-13,21-23,25-26,28,39H,14-16H2,1-8H3/t21-,22-,23+,25-,26-,28-,30+,31-,32-,33-/m1/s1
InChIKey QMDCSQIUKQLIEO-WJGCSBISSA-N
Literature Reference Author J.JAKUPOVIC,F.JESKE,T.MORGENSTERN,F.TSICHRITZIS,J.A.MARCO,W. BERENDSOHN
Literature Reference Citation PHYTOCHEM.,47,1583(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00830-3
Molecular Weight 598.690 g/mol
Solvent CDCl3
Source File Reference UWMS831