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(2S*,3S*,4R*,5R*,6R*,8R*,12S*,13R*,14R*,15R*)-6,14,17-TRIACETOXY-5-(2-HYDROXYACETOXY)-3-BENZOYLOXY-15-HYDROXY-9-OXO-SEGETANE

View entire compound with spectra: 1 NMR

(2S*,3S*,4R*,5R*,6R*,8R*,12S*,13R*,14R*,15R*)-6,14,17-TRIACETOXY-5-(2-HYDROXYACETOXY)-3-BENZOYLOXY-15-HYDROXY-9-OXO-SEGETANE
SpectraBase Compound ID BAqvkmg1y5
InChI InChI=1S/C35H44O13/c1-17-13-34(43)25(26(17)47-29(42)21-11-9-8-10-12-21)28(46-24(40)16-36)35(48-20(4)39)14-22-23(15-32(5,6)27(22)41)33(7,30(34)44-18(2)37)31(35)45-19(3)38/h8-12,17,22-23,25-26,28,30-31,36,43H,13-16H2,1-7H3/t17-,22+,23-,25+,26-,28+,30+,31?,33-,34-,35+/m0/s1
InChIKey XIZUZZXWYLTRAC-GDKGSXRDSA-N
Mol Weight 672.7 g/mol
Molecular Formula C35H44O13
Exact Mass 672.278191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bucp6iRD8PY
Name (2S*,3S*,4R*,5R*,6R*,8R*,12S*,13R*,14R*,15R*)-6,14,17-TRIACETOXY-5-(2-HYDROXYACETOXY)-3-BENZOYLOXY-15-HYDROXY-9-OXO-SEGETANE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H44O13
InChI InChI=1S/C35H44O13/c1-17-13-34(43)25(26(17)47-29(42)21-11-9-8-10-12-21)28(46-24(40)16-36)35(48-20(4)39)14-22-23(15-32(5,6)27(22)41)33(7,30(34)44-18(2)37)31(35)45-19(3)38/h8-12,17,22-23,25-26,28,30-31,36,43H,13-16H2,1-7H3/t17-,22+,23-,25+,26-,28+,30+,31?,33-,34-,35+/m0/s1
InChIKey XIZUZZXWYLTRAC-GDKGSXRDSA-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 672.727 g/mol
Solvent CDCl3
Source File Reference UWMS836