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METHYL-O-[2,3-DI-O-ACETYL-4,6-DIDEOXY-4-[(1R,4R,5S,6S)-4,5,6-TRIACETOXY-3-(ACETOXYMETHYL)-CYCLOHEX-2-ENYL]-AMINO-BETA-D-GLUCOSYL]-(1->4)-O-(TRI-O-
SpectraBase Compound ID GXy770Jc0Fk
InChI InChI=1S/C50H69NO30/c1-19-36(51-33-15-32(16-65-20(2)52)37(69-23(5)55)42(72-26(8)58)38(33)70-24(6)56)41(71-25(7)57)45(75-29(11)61)49(68-19)80-40-35(18-67-22(4)54)79-50(47(77-31(13)63)44(40)74-28(10)60)81-39-34(17-66-21(3)53)78-48(64-14)46(76-30(12)62)43(39)73-27(9)59/h15,19,33-51H,16-18H2,1-14H3/t19-,33+,34+,35+,36-,37+,38-,39+,40+,41+,42-,43-,44-,45-,46+,47+,48+,49+,50-/m0/s1
InChIKey DNBMTOIXVWZFEY-MWANVGBISA-N
Mol Weight 1164.1 g/mol
Molecular Formula C50H69NO30
Exact Mass 1163.39044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2x4w8DpLnO
Name METHYL-O-[2,3-DI-O-ACETYL-4,6-DIDEOXY-4-[(1R,4R,5S,6S)-4,5,6-TRIACETOXY-3-(ACETOXYMETHYL)-CYCLOHEX-2-ENYL]-AMINO-BETA-D-GLUCOSYL]-(1->4)-O-(TRI-O-
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H69NO30
InChI InChI=1S/C50H69NO30/c1-19-36(51-33-15-32(16-65-20(2)52)37(69-23(5)55)42(72-26(8)58)38(33)70-24(6)56)41(71-25(7)57)45(75-29(11)61)49(68-19)80-40-35(18-67-22(4)54)79-50(47(77-31(13)63)44(40)74-28(10)60)81-39-34(17-66-21(3)53)78-48(64-14)46(76-30(12)62)43(39)73-27(9)59/h15,19,33-51H,16-18H2,1-14H3/t19-,33+,34+,35+,36-,37+,38-,39+,40+,41+,42-,43-,44-,45-,46+,47+,48+,49+,50-/m0/s1
InChIKey DNBMTOIXVWZFEY-MWANVGBISA-N
Literature Reference Author R.V.STICK,D.M.G.TILBROOK,S.J.WILLIAMS
Literature Reference Citation AUSTR.J.CHEM.,52,895(1999)
Literature Reference DOI 10.1071/CH99031
Molecular Weight 1164.087 g/mol
Solvent Unknown
Source File Reference UWRU4940