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TERRACINOLIDE-I;(1R*,2S*,3R*,4R*,5R*,6S*,7R*,8S*,9S*,13S*,15S*)-1,2,3,6,8,9-HEXAACETOXY-5,21-EPOXY-15-HYDROXY-7-ISOBUTYROYLOXY-14,21-DIOXO-17-ETHY
SpectraBase Compound ID IxLV8mdAcDm
InChI InChI=1S/C38H52O18/c1-17(2)33(47)54-32-27(49-19(4)39)31(51-21(6)41)35(10,11)15-13-18(3)28(46)38(48)26(30-37(32,56-24(9)44)16-14-25(45)53-30)29(50-20(5)40)36(12,55-23(8)43)34(38)52-22(7)42/h13,15,17-18,26-27,29-32,34,48H,14,16H2,1-12H3/b15-13+/t18-,26+,27-,29+,30+,31+,32+,34+,36-,37-,38+/m0/s1
InChIKey ZSFBABZHSLZEEU-AMPAETAISA-N
Mol Weight 796.8 g/mol
Molecular Formula C38H52O18
Exact Mass 796.315365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9J674Zf2Y9h
Name TERRACINOLIDE-I;(1R*,2S*,3R*,4R*,5R*,6S*,7R*,8S*,9S*,13S*,15S*)-1,2,3,6,8,9-HEXAACETOXY-5,21-EPOXY-15-HYDROXY-7-ISOBUTYROYLOXY-14,21-DIOXO-17-ETHY
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H52O18
InChI InChI=1S/C38H52O18/c1-17(2)33(47)54-32-27(49-19(4)39)31(51-21(6)41)35(10,11)15-13-18(3)28(46)38(48)26(30-37(32,56-24(9)44)16-14-25(45)53-30)29(50-20(5)40)36(12,55-23(8)43)34(38)52-22(7)42/h13,15,17-18,26-27,29-32,34,48H,14,16H2,1-12H3/b15-13+/t18-,26+,27-,29+,30+,31+,32+,34+,36-,37-,38+/m0/s1
InChIKey ZSFBABZHSLZEEU-AMPAETAISA-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 796.820 g/mol
Solvent CDCl3
Source File Reference UWMS826