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(4S,5R,6S)-4-[2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]amino]-2-keto-ethyl]-6-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-5-vinyl-5,6-dihydro-4H-pyran-3-carboxylic acid methyl ester
SpectraBase Compound ID 38fYbNPl6mw
InChI InChI=1S/C37H44N2O16/c1-8-23-25(14-30(44)39-28(35(46)48-7)13-22-15-38-27-12-10-9-11-24(22)27)26(34(45)47-6)16-50-36(23)55-37-33(53-21(5)43)32(52-20(4)42)31(51-19(3)41)29(54-37)17-49-18(2)40/h8-12,15-16,23,25,28-29,31-33,36-38H,1,13-14,17H2,2-7H3,(H,39,44)/t23-,25+,28+,29-,31-,32+,33-,36+,37+/m1/s1
InChIKey BMDLLTGBLRTEAR-PNDCOLONSA-N
Mol Weight 772.8 g/mol
Molecular Formula C37H44N2O16
Exact Mass 772.269083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBMiFKNKSDk
Name (4S,5R,6S)-4-[2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]amino]-2-keto-ethyl]-6-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-5-vinyl-5,6-dihydro-4H-pyran-3-carboxylic acid methyl ester
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H44N2O16
InChI InChI=1S/C37H44N2O16/c1-8-23-25(14-30(44)39-28(35(46)48-7)13-22-15-38-27-12-10-9-11-24(22)27)26(34(45)47-6)16-50-36(23)55-37-33(53-21(5)43)32(52-20(4)42)31(51-19(3)41)29(54-37)17-49-18(2)40/h8-12,15-16,23,25,28-29,31-33,36-38H,1,13-14,17H2,2-7H3,(H,39,44)/t23-,25+,28+,29-,31-,32+,33-,36+,37+/m1/s1
InChIKey BMDLLTGBLRTEAR-PNDCOLONSA-N
Literature Reference Author M.KITAJIMA,M.YOKOYA,H.TAKAYAMA,N.AIMI
Literature Reference Citation CHEM.PHARM.BULL.,50,1376(2002)
Literature Reference DOI 10.1248/cpb.50.1376
Molecular Weight 772.760 g/mol
Solvent CDCl3
Source File Reference UWMS20087