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13-ALPHA-HYDROXYTERRACINOLIDE-B;(2R*,3R*,4R*,5R*,6S*,7R*,8S*,9S*,13R*,15R*)-2,3,6,8,9,15-HEXAACETOXY-5,21-EPOXY-13-HYDROXY-7-ISOBUTYROYLOXY-14,21-
SpectraBase Compound ID JBcB2tHluPr
InChI InChI=1S/C38H52O18/c1-18(2)32(46)53-31-27(49-19(3)39)30(51-21(5)41)34(9,10)15-16-35(11,48)33(47)38(56-24(8)44)17-36(12,54-22(6)42)28(50-20(4)40)26(38)29-37(31,55-23(7)43)14-13-25(45)52-29/h15-16,18,26-31,48H,13-14,17H2,1-12H3/b16-15+/t26-,27+,28-,29-,30-,31-,35-,36-,37+,38-/m1/s1
InChIKey KOPJPWSRYZRWPD-QIPSFQQVSA-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 KpE1vzXFhJQ
Name 13-ALPHA-HYDROXYTERRACINOLIDE-B;(2R*,3R*,4R*,5R*,6S*,7R*,8S*,9S*,13R*,15R*)-2,3,6,8,9,15-HEXAACETOXY-5,21-EPOXY-13-HYDROXY-7-ISOBUTYROYLOXY-14,21-
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H52O18
InChI InChI=1S/C38H52O18/c1-18(2)32(46)53-31-27(49-19(3)39)30(51-21(5)41)34(9,10)15-16-35(11,48)33(47)38(56-24(8)44)17-36(12,54-22(6)42)28(50-20(4)40)26(38)29-37(31,55-23(7)43)14-13-25(45)52-29/h15-16,18,26-31,48H,13-14,17H2,1-12H3/b16-15+/t26-,27+,28-,29-,30-,31-,35-,36-,37+,38-/m1/s1
InChIKey KOPJPWSRYZRWPD-QIPSFQQVSA-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 UWMS827