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#18B;[(3R/S)-3-HYDROXYMETHYL-1-(5,6,7-TRIMETHOXY-INDOL-2-YL-CARBONYL)-2,3-DIHYDRO-1H-INDOL-6-YL]-2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSIDE

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#18B;[(3R/S)-3-HYDROXYMETHYL-1-(5,6,7-TRIMETHOXY-INDOL-2-YL-CARBONYL)-2,3-DIHYDRO-1H-INDOL-6-YL]-2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID EcQC1SLyuyt
InChI InChI=1S/2C35H40N2O15/c2*1-16(39)47-15-27-30(48-17(2)40)32(49-18(3)41)33(50-19(4)42)35(52-27)51-22-8-9-23-21(14-38)13-37(25(23)12-22)34(43)24-10-20-11-26(44-5)29(45-6)31(46-7)28(20)36-24/h2*8-12,21,27,30,32-33,35-36,38H,13-15H2,1-7H3/t21-,27+,30+,32-,33+,35+;21-,27-,30-,32+,33-,35-/m10/s1
InChIKey LDUBVKKHVUXXGE-TWGKXZOASA-N
Mol Weight 1457.4 g/mol
Molecular Formula C70H80N4O30
Exact Mass 1456.485737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCka2Irt6XT
Name #18B;[(3R/S)-3-HYDROXYMETHYL-1-(5,6,7-TRIMETHOXY-INDOL-2-YL-CARBONYL)-2,3-DIHYDRO-1H-INDOL-6-YL]-2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H80N4O30
InChI InChI=1S/2C35H40N2O15/c2*1-16(39)47-15-27-30(48-17(2)40)32(49-18(3)41)33(50-19(4)42)35(52-27)51-22-8-9-23-21(14-38)13-37(25(23)12-22)34(43)24-10-20-11-26(44-5)29(45-6)31(46-7)28(20)36-24/h2*8-12,21,27,30,32-33,35-36,38H,13-15H2,1-7H3/t21-,27+,30+,32-,33+,35+;21-,27-,30-,32+,33-,35-/m10/s1
InChIKey LDUBVKKHVUXXGE-TWGKXZOASA-N
Literature Reference Author L.F.TIETZE,M.LIEB,T.HERZIG,F.HAUNERT,I.SCHUBERTH
Literature Reference Citation BIOORG.MED.CHEM.,9,1929(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00098-0
Molecular Weight 1457.414 g/mol
Solvent CDCl3
Source File Reference UWMS22053