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(2S*,3S*,4R*,5R*,6R*,8R*,11S*,12S*,13R*,14R*,15R*)-5,6,11,14,17-PENTAACETOXY-3-BENZOYLOXY-15-HYDROXY-9-OXO-SEGETANE
SpectraBase Compound ID Lqr68jTvpLx
InChI InChI=1S/C37H46O14/c1-17-15-36(45)26(27(17)50-31(44)23-13-11-10-12-14-23)30(47-19(3)39)37(51-22(6)42)16-24-25(29(46-18(2)38)34(7,8)28(24)43)35(9,32(36)48-20(4)40)33(37)49-21(5)41/h10-14,17,24-27,29-30,32-33,45H,15-16H2,1-9H3/t17-,24+,25+,26+,27-,29-,30+,32+,33?,35+,36+,37+/m0/s1
InChIKey JFWVVYASXBNARF-JMKFPXCUSA-N
Mol Weight 714.8 g/mol
Molecular Formula C37H46O14
Exact Mass 714.288756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EbF8pldL65r
Name (2S*,3S*,4R*,5R*,6R*,8R*,11S*,12S*,13R*,14R*,15R*)-5,6,11,14,17-PENTAACETOXY-3-BENZOYLOXY-15-HYDROXY-9-OXO-SEGETANE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H46O14
InChI InChI=1S/C37H46O14/c1-17-15-36(45)26(27(17)50-31(44)23-13-11-10-12-14-23)30(47-19(3)39)37(51-22(6)42)16-24-25(29(46-18(2)38)34(7,8)28(24)43)35(9,32(36)48-20(4)40)33(37)49-21(5)41/h10-14,17,24-27,29-30,32-33,45H,15-16H2,1-9H3/t17-,24+,25+,26+,27-,29-,30+,32+,33?,35+,36+,37+/m0/s1
InChIKey JFWVVYASXBNARF-JMKFPXCUSA-N
Literature Reference Author J.JAKUPOVIC,T.MORGENSTERN,J.A.MARCO,W.BERENDSOHN
Literature Reference Citation PHYTOCHEM.,47,1611(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00832-7
Molecular Weight 714.764 g/mol
Solvent CDCl3
Source File Reference UWMS854