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TERRACINOLIDE-H;(2R*,3R*,4R*,5R*,6S*,7R*,8S*,9S*,13S*,15R*)-2,8,9,15-TETRAACETOXY-5,21-EPOXY-3-HYDROXY-6,7-DIISOBUTYROYLOXY-14,21-DIOXO-17-ETHYLJA
SpectraBase Compound ID GQaZ4PbJgqC
InChI InChI=1S/C38H54O16/c1-18(2)33(46)51-32-27(48-21(6)39)31(49-22(7)40)35(10,11)15-13-20(5)28(44)38(53-24(9)42)17-36(12,52-23(8)41)29(45)26(38)30-37(32,16-14-25(43)50-30)54-34(47)19(3)4/h13,15,18-20,26-27,29-32,45H,14,16-17H2,1-12H3/b15-13+/t20-,26+,27-,29+,30+,31+,32+,36+,37-,38+/m0/s1
InChIKey BHWIJZNYLYJFNN-JMDXUIOLSA-N
Mol Weight 766.8 g/mol
Molecular Formula C38H54O16
Exact Mass 766.341186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZbTPBnXZdO
Name TERRACINOLIDE-H;(2R*,3R*,4R*,5R*,6S*,7R*,8S*,9S*,13S*,15R*)-2,8,9,15-TETRAACETOXY-5,21-EPOXY-3-HYDROXY-6,7-DIISOBUTYROYLOXY-14,21-DIOXO-17-ETHYLJA
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H54O16
InChI InChI=1S/C38H54O16/c1-18(2)33(46)51-32-27(48-21(6)39)31(49-22(7)40)35(10,11)15-13-20(5)28(44)38(53-24(9)42)17-36(12,52-23(8)41)29(45)26(38)30-37(32,16-14-25(43)50-30)54-34(47)19(3)4/h13,15,18-20,26-27,29-32,45H,14,16-17H2,1-12H3/b15-13+/t20-,26+,27-,29+,30+,31+,32+,36+,37-,38+/m0/s1
InChIKey BHWIJZNYLYJFNN-JMDXUIOLSA-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 766.837 g/mol
Solvent CDCl3
Source File Reference UWMS825