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#22;5-(METHOXYCARBONYL)-PENTYL-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 K4blawvq6Qe
InChI InChI=1S/C85H80O28/c1-52(86)102-66-64(51-101-84-73(111-81(95)60-43-25-10-26-44-60)69(109-79(93)58-39-21-8-22-40-58)67(107-77(91)56-35-17-6-18-36-56)62(105-84)49-99-75(89)54-31-13-4-14-32-54)104-83(98-48-30-12-29-47-65(88)97-3)72(103-53(2)87)71(66)113-85-74(112-82(96)61-45-27-11-28-46-61)70(110-80(94)59-41-23-9-24-42-59)68(108-78(92)57-37-19-7-20-38-57)63(106-85)50-100-76(90)55-33-15-5-16-34-55/h4-11,13-28,31-46,62-64,66-74,83-85H,12,29-30,47-51H2,1-3H3/t62-,63-,64+,66+,67-,68-,69+,70+,71-,72-,73+,74+,83-,84+,85-/m1/s1
InChIKey ZUSALJAVTLDDIT-XVHIPLBBSA-N
Mol Weight 1549.5 g/mol
Molecular Formula C85H80O28
Exact Mass 1548.483612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGKTBArxxgp
Name #22;5-(METHOXYCARBONYL)-PENTYL-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 C85H80O28
InChI InChI=1S/C85H80O28/c1-52(86)102-66-64(51-101-84-73(111-81(95)60-43-25-10-26-44-60)69(109-79(93)58-39-21-8-22-40-58)67(107-77(91)56-35-17-6-18-36-56)62(105-84)49-99-75(89)54-31-13-4-14-32-54)104-83(98-48-30-12-29-47-65(88)97-3)72(103-53(2)87)71(66)113-85-74(112-82(96)61-45-27-11-28-46-61)70(110-80(94)59-41-23-9-24-42-59)68(108-78(92)57-37-19-7-20-38-57)63(106-85)50-100-76(90)55-33-15-5-16-34-55/h4-11,13-28,31-46,62-64,66-74,83-85H,12,29-30,47-51H2,1-3H3/t62-,63-,64+,66+,67-,68-,69+,70+,71-,72-,73+,74+,83-,84+,85-/m1/s1
InChIKey ZUSALJAVTLDDIT-XVHIPLBBSA-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 1549.553 g/mol
Solvent CDCl3
Source File Reference UWVN27351