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28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER
SpectraBase Compound ID Eo19wX0JlWm
InChI InChI=1S/C46H74O16/c1-21-35(60-37-33(54)30(51)24(47)19-57-37)32(53)34(55)38(59-21)61-36-31(52)25(48)20-58-39(36)62-40(56)46-16-15-41(2,3)17-23(46)22-9-10-27-43(6)13-12-28(49)42(4,5)26(43)11-14-44(27,7)45(22,8)18-29(46)50/h9,21,23-39,47-55H,10-20H2,1-8H3/t21-,23?,24-,25+,26?,27?,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,38-,39-,43-,44+,45+,46+/m0/s1
InChIKey VKBICKSVUZCERB-NWRAKRGFSA-N
Mol Weight 883.1 g/mol
Molecular Formula C46H74O16
Exact Mass 882.497686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64K4jJCWQcH
Name 28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H74O16
InChI InChI=1S/C46H74O16/c1-21-35(60-37-33(54)30(51)24(47)19-57-37)32(53)34(55)38(59-21)61-36-31(52)25(48)20-58-39(36)62-40(56)46-16-15-41(2,3)17-23(46)22-9-10-27-43(6)13-12-28(49)42(4,5)26(43)11-14-44(27,7)45(22,8)18-29(46)50/h9,21,23-39,47-55H,10-20H2,1-8H3/t21-,23?,24-,25+,26?,27?,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,38-,39-,43-,44+,45+,46+/m0/s1
InChIKey VKBICKSVUZCERB-NWRAKRGFSA-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 883.084 g/mol
Solvent C5D5N
Source File Reference UWVN1016