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26-O-BETA-D-GLUCOPYRANOSYL-22-O-METHYL-25(S)-FUROST-5-ENE-3-BETA,14-ALPHA,26-TRIOL-3-O-BETA-LYCOTETRAOSIDE;PS-II
SpectraBase Compound ID CDAcVJZs58t
InChI InChI=1S/C57H94O29/c1-22(20-76-49-43(71)39(67)36(64)30(16-58)79-49)8-13-57(75-5)23(2)34-29(86-57)15-56(74)27-7-6-24-14-25(9-11-54(24,3)26(27)10-12-55(34,56)4)78-51-45(73)41(69)46(33(19-61)82-51)83-53-48(85-52-44(72)40(68)37(65)31(17-59)80-52)47(38(66)32(18-60)81-53)84-50-42(70)35(63)28(62)21-77-50/h6,22-23,25-53,58-74H,7-21H2,1-5H3/t22?,23-,25-,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+,53+,54-,55+,56+,57?/m0/s1
InChIKey UTHWROIOIKNYTC-BCKBFIJCSA-N
Mol Weight 1243.3 g/mol
Molecular Formula C57H94O29
Exact Mass 1242.588077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bzr67vU3APK
Name 26-O-BETA-D-GLUCOPYRANOSYL-22-O-METHYL-25(S)-FUROST-5-ENE-3-BETA,14-ALPHA,26-TRIOL-3-O-BETA-LYCOTETRAOSIDE;PS-II
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H94O29
InChI InChI=1S/C57H94O29/c1-22(20-76-49-43(71)39(67)36(64)30(16-58)79-49)8-13-57(75-5)23(2)34-29(86-57)15-56(74)27-7-6-24-14-25(9-11-54(24,3)26(27)10-12-55(34,56)4)78-51-45(73)41(69)46(33(19-61)82-51)83-53-48(85-52-44(72)40(68)37(65)31(17-59)80-52)47(38(66)32(18-60)81-53)84-50-42(70)35(63)28(62)21-77-50/h6,22-23,25-53,58-74H,7-21H2,1-5H3/t22?,23-,25-,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+,53+,54-,55+,56+,57?/m0/s1
InChIKey UTHWROIOIKNYTC-BCKBFIJCSA-N
Literature Reference Author K.H.SON,J.C.DO,S.S.KANG
Literature Reference Citation J.NAT.PROD.,53,333(1990)
Literature Reference DOI 10.1021/np50068a010
Molecular Weight 1243.356 g/mol
Solvent PYRIDINE-D5
Source File Reference UWED17528