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28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-[APIOFURANOSYL-(1->3)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER
SpectraBase Compound ID B2HeMNKHv53
InChI InChI=1S/C56H90O24/c1-24-39(76-45-37(66)40(29(60)21-72-45)77-44-36(65)34(63)27(58)19-71-44)41(78-48-43(68)55(70,22-57)23-74-48)38(67)46(75-24)79-42-35(64)28(59)20-73-47(42)80-49(69)56-16-15-50(2,3)17-26(56)25-9-10-31-52(6)13-12-32(61)51(4,5)30(52)11-14-53(31,7)54(25,8)18-33(56)62/h9,24,26-48,57-68,70H,10-23H2,1-8H3/t24-,26?,27+,28-,29+,30?,31?,32-,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44-,45-,46-,47-,48-,52-,53+,54+,55+,56+/m0/s1
InChIKey YWLWIKXBPOFJGS-FJTNHRCMSA-N
Mol Weight 1147.3 g/mol
Molecular Formula C56H90O24
Exact Mass 1146.582204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfWu8SjH4Fu
Name 28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-[APIOFURANOSYL-(1->3)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H90O24
InChI InChI=1S/C56H90O24/c1-24-39(76-45-37(66)40(29(60)21-72-45)77-44-36(65)34(63)27(58)19-71-44)41(78-48-43(68)55(70,22-57)23-74-48)38(67)46(75-24)79-42-35(64)28(59)20-73-47(42)80-49(69)56-16-15-50(2,3)17-26(56)25-9-10-31-52(6)13-12-32(61)51(4,5)30(52)11-14-53(31,7)54(25,8)18-33(56)62/h9,24,26-48,57-68,70H,10-23H2,1-8H3/t24-,26?,27+,28-,29+,30?,31?,32-,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44-,45-,46-,47-,48-,52-,53+,54+,55+,56+/m0/s1
InChIKey YWLWIKXBPOFJGS-FJTNHRCMSA-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 1147.316 g/mol
Solvent C5D5N
Source File Reference UWVN1022