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2,5,6-TRI-O-BENZOYL-3-O-(2,5,6-TRI-O-BENZOYL-3-DEOXY-BETA-D-XYLO-HEXOFURANOSYL)-D-MANNONO-1,4-LACTONE
SpectraBase Compound ID DypfZmK9AS1
InChI InChI=1S/C54H44O16/c55-47(34-19-7-1-8-20-34)62-32-42(65-50(58)37-25-13-4-14-26-37)40-31-41(64-49(57)36-23-11-3-12-24-36)54(67-40)70-45-44(68-53(61)46(45)69-52(60)39-29-17-6-18-30-39)43(66-51(59)38-27-15-5-16-28-38)33-63-48(56)35-21-9-2-10-22-35/h1-30,40-46,54H,31-33H2/t40-,41-,42?,43?,44+,45-,46-,54+/m0/s1
InChIKey PRRZGAIRWOUYJU-DOBRLFBTSA-N
Mol Weight 948.9 g/mol
Molecular Formula C54H44O16
Exact Mass 948.262935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vEKlFrLgSW
Name 2,5,6-TRI-O-BENZOYL-3-O-(2,5,6-TRI-O-BENZOYL-3-DEOXY-BETA-D-XYLO-HEXOFURANOSYL)-D-MANNONO-1,4-LACTONE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H44O16
InChI InChI=1S/C54H44O16/c55-47(34-19-7-1-8-20-34)62-32-42(65-50(58)37-25-13-4-14-26-37)40-31-41(64-49(57)36-23-11-3-12-24-36)54(67-40)70-45-44(68-53(61)46(45)69-52(60)39-29-17-6-18-30-39)43(66-51(59)38-27-15-5-16-28-38)33-63-48(56)35-21-9-2-10-22-35/h1-30,40-46,54H,31-33H2/t40-,41-,42?,43?,44+,45-,46-,54+/m0/s1
InChIKey PRRZGAIRWOUYJU-DOBRLFBTSA-N
Literature Reference Author C.MARINO,A.CHIOCCONI,O.VARELA,R.M.DELEDERKREMER
Literature Reference Citation CARBOHYDR.RES.,311,183(1998)
Literature Reference DOI 10.1016/S0008-6215(98)00214-6
Molecular Weight 948.934 g/mol
Solvent CDCl3
Source File Reference UWRU5085