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METHYL-2,3,6-TRI-O-ACETYL-4-DEOXY-4-[(1R,4R,5S,6S)-4,5-TRIACETOXY-3-(ACETOXYMETHYL)-CYClOHEX-2-ENYL]-AMINO-BETA-D-GLUCOSIDE
SpectraBase Compound ID K1RNCO6XIF9
InChI InChI=1S/C28H39NO16/c1-12(30)38-10-19-9-20(24(41-15(4)33)26(43-17(6)35)23(19)40-14(3)32)29-22-21(11-39-13(2)31)45-28(37-8)27(44-18(7)36)25(22)42-16(5)34/h9,20-29H,10-11H2,1-8H3/t20-,21-,22-,23-,24+,25+,26+,27-,28-/m1/s1
InChIKey SUTVTYAUYGCFAQ-BADDUXAJSA-N
Mol Weight 645.6 g/mol
Molecular Formula C28H39NO16
Exact Mass 645.226884 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcUR7nSaRXo
Name METHYL-2,3,6-TRI-O-ACETYL-4-DEOXY-4-[(1R,4R,5S,6S)-4,5-TRIACETOXY-3-(ACETOXYMETHYL)-CYClOHEX-2-ENYL]-AMINO-BETA-D-GLUCOSIDE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H39NO16
InChI InChI=1S/C28H39NO16/c1-12(30)38-10-19-9-20(24(41-15(4)33)26(43-17(6)35)23(19)40-14(3)32)29-22-21(11-39-13(2)31)45-28(37-8)27(44-18(7)36)25(22)42-16(5)34/h9,20-29H,10-11H2,1-8H3/t20-,21-,22-,23-,24+,25+,26+,27-,28-/m1/s1
InChIKey SUTVTYAUYGCFAQ-BADDUXAJSA-N
Literature Reference Author J.C.MCAULIFFE,R.V.STICK
Literature Reference Citation AUSTR.J.CHEM.,50,219(1997)
Literature Reference DOI 10.1071/C96155
Molecular Weight 645.615 g/mol
Solvent Unknown
Source File Reference UWCS16416