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3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYLOLEANOLIC-ACID
SpectraBase Compound ID 5Mh3OMSS9PJ
InChI InChI=1S/C52H84O20/c1-23-32(55)40(71-42-37(60)35(58)28(22-66-42)69-43-38(61)36(59)34(57)27(20-53)68-43)39(62)44(67-23)72-41-33(56)26(54)21-65-45(41)70-31-12-13-49(6)29(48(31,4)5)11-14-51(8)30(49)10-9-24-25-19-47(2,3)15-17-52(25,46(63)64)18-16-50(24,51)7/h9,23,25-45,53-62H,10-22H2,1-8H3,(H,63,64)/t23-,25-,26-,27+,28+,29?,30?,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1
InChIKey SQMQSLVVHZAFKJ-FVPACTARSA-N
Mol Weight 1029.2 g/mol
Molecular Formula C52H84O20
Exact Mass 1028.555595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CjpidykncnT
Name 3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYLOLEANOLIC-ACID
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H84O20
InChI InChI=1S/C52H84O20/c1-23-32(55)40(71-42-37(60)35(58)28(22-66-42)69-43-38(61)36(59)34(57)27(20-53)68-43)39(62)44(67-23)72-41-33(56)26(54)21-65-45(41)70-31-12-13-49(6)29(48(31,4)5)11-14-51(8)30(49)10-9-24-25-19-47(2,3)15-17-52(25,46(63)64)18-16-50(24,51)7/h9,23,25-45,53-62H,10-22H2,1-8H3,(H,63,64)/t23-,25-,26-,27+,28+,29?,30?,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1
InChIKey SQMQSLVVHZAFKJ-FVPACTARSA-N
Literature Reference Author Q.ZHENG,K.KOIKE,L.K.HAN,H.OKUDA,T.NIKAIDO
Literature Reference Citation J.NAT.PROD.,67,604(2004)
Literature Reference DOI 10.1021/np0304722
Molecular Weight 1029.227 g/mol
Solvent C5D5N
Source File Reference UWMZ7437