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28-O-[ARABINOPYRANOSYL-(1->4)-ARABINOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-FUCOPYRANOSYL]-QUILLAIC-ACID-ESTER
SpectraBase Compound ID KVAZdWcc960
InChI InChI=1S/C57H90O25/c1-23-34(63)37(66)45(81-49-41(70)38(67)43(24(2)77-49)79-48-42(71)44(28(60)20-74-48)80-47-40(69)36(65)29(21-75-47)78-46-39(68)35(64)27(59)19-73-46)50(76-23)82-51(72)57-16-15-52(3,4)17-26(57)25-9-10-31-53(5)13-12-32(61)54(6,22-58)30(53)11-14-55(31,7)56(25,8)18-33(57)62/h9,22-24,26-50,59-71H,10-21H2,1-8H3/t23-,24+,26?,27-,28+,29-,30?,31?,32+,33-,34+,35-,36-,37+,38+,39+,40+,41-,42+,43+,44-,45-,46-,47-,48-,49+,50+,53+,54+,55-,56-,57-/m1/s1
InChIKey OFOINNASBFYBOI-YGUNJUNISA-N
Mol Weight 1175.3 g/mol
Molecular Formula C57H90O25
Exact Mass 1174.577118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xSTMtbauGR
Name 28-O-[ARABINOPYRANOSYL-(1->4)-ARABINOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-FUCOPYRANOSYL]-QUILLAIC-ACID-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H90O25
InChI InChI=1S/C57H90O25/c1-23-34(63)37(66)45(81-49-41(70)38(67)43(24(2)77-49)79-48-42(71)44(28(60)20-74-48)80-47-40(69)36(65)29(21-75-47)78-46-39(68)35(64)27(59)19-73-46)50(76-23)82-51(72)57-16-15-52(3,4)17-26(57)25-9-10-31-53(5)13-12-32(61)54(6,22-58)30(53)11-14-55(31,7)56(25,8)18-33(57)62/h9,22-24,26-50,59-71H,10-21H2,1-8H3/t23-,24+,26?,27-,28+,29-,30?,31?,32+,33-,34+,35-,36-,37+,38+,39+,40+,41-,42+,43+,44-,45-,46-,47-,48-,49+,50+,53+,54+,55-,56-,57-/m1/s1
InChIKey OFOINNASBFYBOI-YGUNJUNISA-N
Literature Reference Author N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation PHYTOCHEM.,52,153(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00454-3
Molecular Weight 1175.327 g/mol
Solvent C5D5N
Source File Reference UWVN1297