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6-O-ALPHA-D-(2,3,4,6-TETRA-O-BENZYLGLUCOPYRANOSYL)-TRIS-(BENZYLOXY)-7-DEOXY-7-METHOXYCARBONYL-5-OXO-CASUARINE
SpectraBase Compound ID 4oP6EbCdnuz
InChI InChI=1S/C65H67NO12/c1-69-64(68)55-56-60(74-41-50-31-17-6-18-32-50)57(72-39-48-27-13-4-14-28-48)53(44-70-37-46-23-9-2-10-24-46)66(56)63(67)59(55)78-65-62(76-43-52-35-21-8-22-36-52)61(75-42-51-33-19-7-20-34-51)58(73-40-49-29-15-5-16-30-49)54(77-65)45-71-38-47-25-11-3-12-26-47/h2-36,53-62,65H,37-45H2,1H3/t53-,54+,55+,56-,57-,58+,59-,60-,61-,62+,65+/m1/s1
InChIKey PWHUPOWQNKTVKQ-SLEKJIACSA-N
Mol Weight 1054.2 g/mol
Molecular Formula C65H67NO12
Exact Mass 1053.466327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCHxxfoWeHt
Name 6-O-ALPHA-D-(2,3,4,6-TETRA-O-BENZYLGLUCOPYRANOSYL)-TRIS-(BENZYLOXY)-7-DEOXY-7-METHOXYCARBONYL-5-OXO-CASUARINE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C65H67NO12
InChI InChI=1S/C65H67NO12/c1-69-64(68)55-56-60(74-41-50-31-17-6-18-32-50)57(72-39-48-27-13-4-14-28-48)53(44-70-37-46-23-9-2-10-24-46)66(56)63(67)59(55)78-65-62(76-43-52-35-21-8-22-36-52)61(75-42-51-33-19-7-20-34-51)58(73-40-49-29-15-5-16-30-49)54(77-65)45-71-38-47-25-11-3-12-26-47/h2-36,53-62,65H,37-45H2,1H3/t53-,54+,55+,56-,57-,58+,59-,60-,61-,62+,65+/m1/s1
InChIKey PWHUPOWQNKTVKQ-SLEKJIACSA-N
Literature Reference Author C.BONACCINI,M.CHIOCCIOLI,C.PARMEGGIANI,F.CARDONA,D.LORE,G.SO LDAINI,P.VOGEL,C.BEL
Literature Reference Citation EUR.J.ORG.CHEM.,2010,5574(2010)
Literature Reference DOI 10.1002/ejoc.201000632
Molecular Weight 1054.246 g/mol
Solvent CDCl3
Source File Reference UWLU85971