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METHYL-2,3-DI-O-ACETYL-6-DEOXY-4-O-(N-[(1R,4R,5S,6S)-4,5,6-TRIACETOXY-3-(ACETOXYMETHYL)-CYClOHEX-2-ENYL])-CARBAMOYL-BETA-D-GLUCOSIDE
SpectraBase Compound ID 5vR757fZlma
InChI InChI=1S/C27H37NO16/c1-11-20(23(41-15(5)32)25(43-17(7)34)26(36-8)38-11)44-27(35)28-19-9-18(10-37-12(2)29)21(39-13(3)30)24(42-16(6)33)22(19)40-14(4)31/h9,11,19-26H,10H2,1-8H3,(H,28,35)/t11-,19-,20-,21-,22+,23+,24+,25-,26-/m1/s1
InChIKey KJMLYIYMQRCORF-CQHQRDGXSA-N
Mol Weight 631.6 g/mol
Molecular Formula C27H37NO16
Exact Mass 631.211234 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYGlHZjnOVn
Name METHYL-2,3-DI-O-ACETYL-6-DEOXY-4-O-(N-[(1R,4R,5S,6S)-4,5,6-TRIACETOXY-3-(ACETOXYMETHYL)-CYClOHEX-2-ENYL])-CARBAMOYL-BETA-D-GLUCOSIDE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H37NO16
InChI InChI=1S/C27H37NO16/c1-11-20(23(41-15(5)32)25(43-17(7)34)26(36-8)38-11)44-27(35)28-19-9-18(10-37-12(2)29)21(39-13(3)30)24(42-16(6)33)22(19)40-14(4)31/h9,11,19-26H,10H2,1-8H3,(H,28,35)/t11-,19-,20-,21-,22+,23+,24+,25-,26-/m1/s1
InChIKey KJMLYIYMQRCORF-CQHQRDGXSA-N
Literature Reference Author J.C.MACAULIFFE,R.V.STICK
Literature Reference Citation AUSTR.J.CHEM.,50,203(1997)
Literature Reference DOI 10.1071/C96153
Molecular Weight 631.588 g/mol
Solvent Unknown
Source File Reference UWCS16420