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(2S*,3S*,4R*,5R*,6R*,8R*,11S*,12S*,13R*,14R*,15R*)-6,11,14,17-TETRAACETOXY-5-(2-ACETOXYACETOXY)-3-BENZOYLOXY-15-HYDROXY-9-OXO-SEGETANE

View entire compound with spectra: 1 NMR

(2S*,3S*,4R*,5R*,6R*,8R*,11S*,12S*,13R*,14R*,15R*)-6,11,14,17-TETRAACETOXY-5-(2-ACETOXYACETOXY)-3-BENZOYLOXY-15-HYDROXY-9-OXO-SEGETANE
SpectraBase Compound ID Fi3gTPW1u7R
InChI InChI=1S/C39H48O16/c1-18-15-38(48)28(29(18)54-33(47)24-13-11-10-12-14-24)32(53-26(45)17-49-19(2)40)39(55-23(6)44)16-25-27(31(50-20(3)41)36(7,8)30(25)46)37(9,34(38)51-21(4)42)35(39)52-22(5)43/h10-14,18,25,27-29,31-32,34-35,48H,15-17H2,1-9H3/t18-,25+,27+,28+,29-,31-,32+,34+,35?,37+,38+,39+/m0/s1
InChIKey IFVZGQVJBOEHFG-BKBUILRLSA-N
Mol Weight 772.8 g/mol
Molecular Formula C39H48O16
Exact Mass 772.294235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qP5SynQbTD
Name (2S*,3S*,4R*,5R*,6R*,8R*,11S*,12S*,13R*,14R*,15R*)-6,11,14,17-TETRAACETOXY-5-(2-ACETOXYACETOXY)-3-BENZOYLOXY-15-HYDROXY-9-OXO-SEGETANE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H48O16
InChI InChI=1S/C39H48O16/c1-18-15-38(48)28(29(18)54-33(47)24-13-11-10-12-14-24)32(53-26(45)17-49-19(2)40)39(55-23(6)44)16-25-27(31(50-20(3)41)36(7,8)30(25)46)37(9,34(38)51-21(4)42)35(39)52-22(5)43/h10-14,18,25,27-29,31-32,34-35,48H,15-17H2,1-9H3/t18-,25+,27+,28+,29-,31-,32+,34+,35?,37+,38+,39+/m0/s1
InChIKey IFVZGQVJBOEHFG-BKBUILRLSA-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 772.801 g/mol
Solvent CDCl3
Source File Reference UWMS835