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#16;3-(METHOXYCARBONYL)-PROPYL-2,4-DI-O-ACETYL-(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL)-(1->3)-[(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL)-(1->6)
SpectraBase Compound ID FzFHwwBtbAH
InChI InChI=1S/C83H76O28/c1-50(84)100-64-62(49-99-82-71(109-79(93)58-41-24-10-25-42-58)67(107-77(91)56-37-20-8-21-38-56)65(105-75(89)54-33-16-6-17-34-54)60(103-82)47-97-73(87)52-29-12-4-13-30-52)102-81(96-46-28-45-63(86)95-3)70(101-51(2)85)69(64)111-83-72(110-80(94)59-43-26-11-27-44-59)68(108-78(92)57-39-22-9-23-40-57)66(106-76(90)55-35-18-7-19-36-55)61(104-83)48-98-74(88)53-31-14-5-15-32-53/h4-27,29-44,60-62,64-72,81-83H,28,45-49H2,1-3H3/t60-,61-,62+,64+,65-,66-,67+,68+,69-,70-,71+,72+,81-,82+,83-/m1/s1
InChIKey RTPCVMXXBAOXGN-AIWHRBRASA-N
Mol Weight 1521.5 g/mol
Molecular Formula C83H76O28
Exact Mass 1520.452312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Br3ZBP72dRO
Name #16;3-(METHOXYCARBONYL)-PROPYL-2,4-DI-O-ACETYL-(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL)-(1->3)-[(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL)-(1->6)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C83H76O28
InChI InChI=1S/C83H76O28/c1-50(84)100-64-62(49-99-82-71(109-79(93)58-41-24-10-25-42-58)67(107-77(91)56-37-20-8-21-38-56)65(105-75(89)54-33-16-6-17-34-54)60(103-82)47-97-73(87)52-29-12-4-13-30-52)102-81(96-46-28-45-63(86)95-3)70(101-51(2)85)69(64)111-83-72(110-80(94)59-43-26-11-27-44-59)68(108-78(92)57-39-22-9-23-40-57)66(106-76(90)55-35-18-7-19-36-55)61(104-83)48-98-74(88)53-31-14-5-15-32-53/h4-27,29-44,60-62,64-72,81-83H,28,45-49H2,1-3H3/t60-,61-,62+,64+,65-,66-,67+,68+,69-,70-,71+,72+,81-,82+,83-/m1/s1
InChIKey RTPCVMXXBAOXGN-AIWHRBRASA-N
Literature Reference Author R.H.FURNEAUX,Z.PAKULSKI,P.C.TYLER
Literature Reference Citation CAN.J.CHEM.,80,964(2002)
Literature Reference DOI 10.1139/v02-120
Molecular Weight 1521.500 g/mol
Solvent CDCl3
Source File Reference UWVN27348