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28-O-[GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-FUCOPYRANOSYL]-OLEANOLIC-ACID-ESTER
SpectraBase Compound ID 9gJV6xCTft7
InChI InChI=1S/C53H86O20/c1-23-32(57)36(61)42(72-45-39(64)41(71-44-38(63)35(60)34(59)28(21-54)69-44)40(24(2)68-45)70-43-37(62)33(58)27(55)22-66-43)46(67-23)73-47(65)53-18-16-48(3,4)20-26(53)25-10-11-30-50(7)14-13-31(56)49(5,6)29(50)12-15-52(30,9)51(25,8)17-19-53/h10,23-24,26-46,54-64H,11-22H2,1-9H3/t23-,24+,26?,27-,28+,29?,30?,31+,32+,33+,34+,35-,36+,37-,38+,39-,40+,41+,42-,43+,44-,45+,46+,50+,51-,52-,53+/m1/s1
InChIKey WJASPWXNVFZNHN-HQWMYJTJSA-N
Mol Weight 1043.3 g/mol
Molecular Formula C53H86O20
Exact Mass 1042.571245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ia99DhalEWj
Name 28-O-[GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-FUCOPYRANOSYL]-OLEANOLIC-ACID-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H86O20
InChI InChI=1S/C53H86O20/c1-23-32(57)36(61)42(72-45-39(64)41(71-44-38(63)35(60)34(59)28(21-54)69-44)40(24(2)68-45)70-43-37(62)33(58)27(55)22-66-43)46(67-23)73-47(65)53-18-16-48(3,4)20-26(53)25-10-11-30-50(7)14-13-31(56)49(5,6)29(50)12-15-52(30,9)51(25,8)17-19-53/h10,23-24,26-46,54-64H,11-22H2,1-9H3/t23-,24+,26?,27-,28+,29?,30?,31+,32+,33+,34+,35-,36+,37-,38+,39-,40+,41+,42-,43+,44-,45+,46+,50+,51-,52-,53+/m1/s1
InChIKey WJASPWXNVFZNHN-HQWMYJTJSA-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 1043.254 g/mol
Solvent C5D5N
Source File Reference UWVN1202