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(2S*,3S*,4R*,5R*,6R*,8R*,12S*,13R*,14R*,15R*)-6,14,17-TRIACETOXY-5-(2-ACETOXYACETOXY)-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-ACETOXYACETOXY)-3-BENZOYLOXY-15-HYDROXY-9-OXO-SEGETANE
SpectraBase Compound ID 29pVYwJ7Uc8
InChI InChI=1S/C37H46O14/c1-18-14-36(45)27(28(18)50-31(44)23-12-10-9-11-13-23)30(49-26(42)17-46-19(2)38)37(51-22(5)41)15-24-25(16-34(6,7)29(24)43)35(8,32(36)47-20(3)39)33(37)48-21(4)40/h9-13,18,24-25,27-28,30,32-33,45H,14-17H2,1-8H3/t18-,24+,25-,27+,28-,30+,32+,33?,35-,36+,37+/m0/s1
InChIKey GVQACOLUOBLBLO-LFVHUYPFSA-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 KAM8Q8NGBG2
Name (2S*,3S*,4R*,5R*,6R*,8R*,12S*,13R*,14R*,15R*)-6,14,17-TRIACETOXY-5-(2-ACETOXYACETOXY)-3-BENZOYLOXY-15-HYDROXY-9-OXO-SEGETANE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H46O14
InChI InChI=1S/C37H46O14/c1-18-14-36(45)27(28(18)50-31(44)23-12-10-9-11-13-23)30(49-26(42)17-46-19(2)38)37(51-22(5)41)15-24-25(16-34(6,7)29(24)43)35(8,32(36)47-20(3)39)33(37)48-21(4)40/h9-13,18,24-25,27-28,30,32-33,45H,14-17H2,1-8H3/t18-,24+,25-,27+,28-,30+,32+,33?,35-,36+,37+/m0/s1
InChIKey GVQACOLUOBLBLO-LFVHUYPFSA-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 714.764 g/mol
Solvent CDCl3
Source File Reference UWMS834