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(2S*,3S*,4R*,5R*,6S*,8R*,11S*,12S*,13R*,14R*,15R*)-6,11,14-TRIACETOXY-5-(2-ACETOXYACETOXY)-3-BENZOYLOXY-15-HYDROXY-9-OXO-SEGETANE

View entire compound with spectra: 1 NMR

(2S*,3S*,4R*,5R*,6S*,8R*,11S*,12S*,13R*,14R*,15R*)-6,11,14-TRIACETOXY-5-(2-ACETOXYACETOXY)-3-BENZOYLOXY-15-HYDROXY-9-OXO-SEGETANE
SpectraBase Compound ID 2CZFfdpHXOi
InChI InChI=1S/C37H46O14/c1-18-14-37(45)27(28(18)50-32(44)23-12-10-9-11-13-23)31(49-25(42)16-46-19(2)38)36(51-22(5)41)15-24-26(35(8,17-36)33(37)48-21(4)40)30(47-20(3)39)34(6,7)29(24)43/h9-13,18,24,26-28,30-31,33,45H,14-17H2,1-8H3/t18-,24+,26+,27+,28-,30-,31+,33+,35-,36+,37+/m0/s1
InChIKey RCVCMLLRUPYTNC-QHAGBCAISA-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 HbKzdZnAEhB
Name (2S*,3S*,4R*,5R*,6S*,8R*,11S*,12S*,13R*,14R*,15R*)-6,11,14-TRIACETOXY-5-(2-ACETOXYACETOXY)-3-BENZOYLOXY-15-HYDROXY-9-OXO-SEGETANE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H46O14
InChI InChI=1S/C37H46O14/c1-18-14-37(45)27(28(18)50-32(44)23-12-10-9-11-13-23)31(49-25(42)16-46-19(2)38)36(51-22(5)41)15-24-26(35(8,17-36)33(37)48-21(4)40)30(47-20(3)39)34(6,7)29(24)43/h9-13,18,24,26-28,30-31,33,45H,14-17H2,1-8H3/t18-,24+,26+,27+,28-,30-,31+,33+,35-,36+,37+/m0/s1
InChIKey RCVCMLLRUPYTNC-QHAGBCAISA-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 UWMS853