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SEGETALOL-1,5,14-TRIACETATE-3-BENZOATE

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SEGETALOL-1,5,14-TRIACETATE-3-BENZOATE
SpectraBase Compound ID EfBxiTpF8HE
InChI InChI=1S/C33H42O10/c1-16-24(43-28(38)20-12-10-9-11-13-20)23-27(41-18(3)35)31(7)14-21-22(15-30(5,6)25(21)37)32(31,8)29(42-19(4)36)33(23,39)26(16)40-17(2)34/h9-13,16,21-24,26-27,29,39H,14-15H2,1-8H3/t16-,21-,22-,23-,24+,26-,27-,29-,31+,32-,33+/m1/s1
InChIKey YGNZHEOASXYUAE-XYXVYCFYSA-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 E9QekbRIsMX
Name (1R*,2R*,3S*,4R*,5R*,6R*,8R*,12R*,13S*,14R*,15R*)-1,5,14-TRIACETOXY-3-BENZOYLOXY-15-HYDROXY-9-OXO-PARALIANE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H42O10
InChI InChI=1S/C33H42O10/c1-16-24(43-28(38)20-12-10-9-11-13-20)23-27(41-18(3)35)31(7)14-21-22(15-30(5,6)25(21)37)32(31,8)29(42-19(4)36)33(23,39)26(16)40-17(2)34/h9-13,16,21-24,26-27,29,39H,14-15H2,1-8H3/t16-,21-,22-,23-,24+,26-,27-,29-,31+,32-,33+/m1/s1
InChIKey YGNZHEOASXYUAE-XYXVYCFYSA-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 UWMS830