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13-ALPHA-HYDROXYTERRACINOLIDE-I;(1R*,2R*,3R*,4R*,5R*,6S*,7R*,8S*,9S*,13S*,15S*)-1,2,3,6,8,9-HEXAACETOXY-5,21-EPOXY-13,15-DIHYDROXY-7-ISOBUTYROYLOX
SpectraBase Compound ID 1NpGyLJMoKw
InChI InChI=1S/C38H52O19/c1-17(2)31(46)55-30-26(50-18(3)39)29(52-20(5)41)34(9,10)15-16-35(11,48)32(47)38(49)25(28-37(30,57-23(8)44)14-13-24(45)54-28)27(51-19(4)40)36(12,56-22(7)43)33(38)53-21(6)42/h15-17,25-30,33,48-49H,13-14H2,1-12H3/b16-15+/t25-,26+,27-,28-,29-,30-,33-,35-,36+,37+,38-/m1/s1
InChIKey MJGFWHXLKFAONU-XKLBHLKOSA-N
Mol Weight 812.8 g/mol
Molecular Formula C38H52O19
Exact Mass 812.310279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GULZkzlmttj
Name 13-ALPHA-HYDROXYTERRACINOLIDE-I;(1R*,2R*,3R*,4R*,5R*,6S*,7R*,8S*,9S*,13S*,15S*)-1,2,3,6,8,9-HEXAACETOXY-5,21-EPOXY-13,15-DIHYDROXY-7-ISOBUTYROYLOX
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H52O19
InChI InChI=1S/C38H52O19/c1-17(2)31(46)55-30-26(50-18(3)39)29(52-20(5)41)34(9,10)15-16-35(11,48)32(47)38(49)25(28-37(30,57-23(8)44)14-13-24(45)54-28)27(51-19(4)40)36(12,56-22(7)43)33(38)53-21(6)42/h15-17,25-30,33,48-49H,13-14H2,1-12H3/b16-15+/t25-,26+,27-,28-,29-,30-,33-,35-,36+,37+,38-/m1/s1
InChIKey MJGFWHXLKFAONU-XKLBHLKOSA-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 812.819 g/mol
Solvent CDCl3
Source File Reference UWMS828