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#1A;BALANITOSIDE;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22,26-TRIHYDROXY-FUROST-5-ENE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPY
SpectraBase Compound ID LkZjC0oLs4W
InChI InChI=1S/C51H84O23/c1-20(19-66-45-40(62)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-47-42(64)39(61)43(31(18-54)71-47)72-48-44(38(60)35(57)30(17-53)70-48)73-46-41(63)36(58)33(55)22(3)67-46/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20?,21-,22+,24-,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?/m0/s1
InChIKey YGVBGPSWCYFEAW-XGYLMKKJSA-N
Mol Weight 1065.2 g/mol
Molecular Formula C51H84O23
Exact Mass 1064.540339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BMHkno9WG1T
Name #1A;BALANITOSIDE;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22,26-TRIHYDROXY-FUROST-5-ENE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H84O23
InChI InChI=1S/C51H84O23/c1-20(19-66-45-40(62)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-47-42(64)39(61)43(31(18-54)71-47)72-48-44(38(60)35(57)30(17-53)70-48)73-46-41(63)36(58)33(55)22(3)67-46/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20?,21-,22+,24-,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?/m0/s1
InChIKey YGVBGPSWCYFEAW-XGYLMKKJSA-N
Literature Reference Author M.HOSNY,T.KHALIFA,I.CALIS,A.D.WRIGHT,O.STICHER
Literature Reference Citation PHYTOCHEM.,31,3565(1992)
Literature Reference DOI 10.1016/0031-9422(92)83728-H
Molecular Weight 1065.214 g/mol
Solvent CD3OD
Source File Reference UWMS27149