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3-O-[BETA-D-GLUCOPYRANOSYL-(1-2)-BETA-D-XYLOPYRANOSYL]-OLEANOLIC-ACID-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1-4)-BETA-D-GLUCOPYRANOSYL-(1-6)-BETA-D-GLUCOP
SpectraBase Compound ID Ag2r08TKr5R
InChI InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(21-61)80-48(45(74)41(46)70)77-23-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(2,3)19-26(59)25-9-10-32-56(6)13-12-33(55(4,5)31(56)11-14-58(32,8)57(25,7)16-18-59)82-52-47(35(64)27(62)22-76-52)84-50-43(72)39(68)36(65)28(20-60)79-50/h9,24,26-52,60-74H,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-,49+,50+,51+,52+,56+,57-,58-,59+/m1/s1
InChIKey JYQWZASHCQTVLM-FZPKSEJUSA-N
Mol Weight 1221.4 g/mol
Molecular Formula C59H96O26
Exact Mass 1220.618983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bq6nxcpnRto
Name 3-O-[BETA-D-GLUCOPYRANOSYL-(1-2)-BETA-D-XYLOPYRANOSYL]-OLEANOLIC-ACID-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1-4)-BETA-D-GLUCOPYRANOSYL-(1-6)-BETA-D-GLUCOP
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H96O26
InChI InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(21-61)80-48(45(74)41(46)70)77-23-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(2,3)19-26(59)25-9-10-32-56(6)13-12-33(55(4,5)31(56)11-14-58(32,8)57(25,7)16-18-59)82-52-47(35(64)27(62)22-76-52)84-50-43(72)39(68)36(65)28(20-60)79-50/h9,24,26-52,60-74H,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-,49+,50+,51+,52+,56+,57-,58-,59+/m1/s1
InChIKey JYQWZASHCQTVLM-FZPKSEJUSA-N
Literature Reference Author L.ZHAO,W.-M.CHEN,Q.-C.FANG
Literature Reference Citation PLANTA.MED.,57,572(1991)
Literature Reference DOI 10.1055/s-2006-960209
Molecular Weight 1221.396 g/mol
Solvent PYRIDINE-D5
Source File Reference UIAP238