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2,3,5,6-TETRA-O-BENZOYL-BETA-D-GALACTOFURANOSYL-(1->5)-3-O-ACETYL-2,6-DI-O-PIVALOYL-ALPHA-D-GALACTONOSE
SpectraBase Compound ID BO32n4HtYv8
InChI InChI=1S/C52H56O18/c1-30(53)63-39-37(66-47(58)41(39)70-50(60)52(5,6)7)36(29-62-49(59)51(2,3)4)65-48-42(68-46(57)34-26-18-11-19-27-34)40(67-45(56)33-24-16-10-17-25-33)38(69-48)35(64-44(55)32-22-14-9-15-23-32)28-61-43(54)31-20-12-8-13-21-31/h8-27,35-42,47-48,58H,28-29H2,1-7H3/t35-,36+,37-,38+,39-,40+,41+,42-,47-,48-/m0/s1
InChIKey BJEXJEGDZAANDU-PAZPDTDPSA-N
Mol Weight 969.0 g/mol
Molecular Formula C52H56O18
Exact Mass 968.346665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPyXLa49PVD
Name 2,3,5,6-TETRA-O-BENZOYL-BETA-D-GALACTOFURANOSYL-(1->5)-3-O-ACETYL-2,6-DI-O-PIVALOYL-ALPHA-D-GALACTONOSE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H56O18
InChI InChI=1S/C52H56O18/c1-30(53)63-39-37(66-47(58)41(39)70-50(60)52(5,6)7)36(29-62-49(59)51(2,3)4)65-48-42(68-46(57)34-26-18-11-19-27-34)40(67-45(56)33-24-16-10-17-25-33)38(69-48)35(64-44(55)32-22-14-9-15-23-32)28-61-43(54)31-20-12-8-13-21-31/h8-27,35-42,47-48,58H,28-29H2,1-7H3/t35-,36+,37-,38+,39-,40+,41+,42-,47-,48-/m0/s1
InChIKey BJEXJEGDZAANDU-PAZPDTDPSA-N
Literature Reference Author L.GANDOLFI-ONADIO,C.GALLO-RODRIGUEZ,R.M.D.LEDERKREMER
Literature Reference Citation J.ORG.CHEM.,68,6928(2003)
Literature Reference DOI 10.1021/jo034365o
Molecular Weight 969.006 g/mol
Solvent CDCl3
Source File Reference UWMS28287