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[(3R/S)-3-CHLOROMETHYL-1-(5',6',7'-TRIMETHOXY-INDOL-2'-YL-CARBONYL)-2,3-DIHYDRO-1H-INDOL-6-YL]-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID KWp4S3Lgoi1
InChI InChI=1S/2C27H31ClN2O10/c2*1-36-18-7-12-6-16(29-20(12)25(38-3)24(18)37-2)26(35)30-10-13(9-28)15-5-4-14(8-17(15)30)39-27-23(34)22(33)21(32)19(11-31)40-27/h2*4-8,13,19,21-23,27,29,31-34H,9-11H2,1-3H3/t13-,19+,21-,22-,23+,27+;13-,19-,21+,22+,23-,27-/m01/s1
InChIKey KMUVYCFNQOOHKA-JOMUTXILSA-N
Mol Weight 1158.0 g/mol
Molecular Formula C54H62Cl2N4O20
Exact Mass 1156.333446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KaB8y11x1zd
Name [(3R/S)-3-CHLOROMETHYL-1-(5',6',7'-TRIMETHOXY-INDOL-2'-YL-CARBONYL)-2,3-DIHYDRO-1H-INDOL-6-YL]-BETA-D-GALACTOPYRANOSIDE
Compound Number 17A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H62Cl2N4O20
InChI InChI=1S/2C27H31ClN2O10/c2*1-36-18-7-12-6-16(29-20(12)25(38-3)24(18)37-2)26(35)30-10-13(9-28)15-5-4-14(8-17(15)30)39-27-23(34)22(33)21(32)19(11-31)40-27/h2*4-8,13,19,21-23,27,29,31-34H,9-11H2,1-3H3/t13-,19+,21-,22-,23+,27+;13-,19-,21+,22+,23-,27-/m01/s1
InChIKey KMUVYCFNQOOHKA-JOMUTXILSA-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 1158.007 g/mol
Solvent CD3OD
Source File Reference UWMS22058