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(25R)-3-BETA-[[O-BETA-D-XYLOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-G
SpectraBase Compound ID Dhgm8jNN3we
InChI InChI=1S/C55H88O27/c1-20-7-10-55(73-17-20)21(2)34-29(82-55)12-26-24-6-5-22-11-23(8-9-53(22,3)25(24)13-33(61)54(26,34)4)74-50-42(69)39(66)44(32(16-58)77-50)78-52-47(46(38(65)31(15-57)76-52)80-49-41(68)36(63)28(60)19-72-49)81-51-43(70)45(37(64)30(14-56)75-51)79-48-40(67)35(62)27(59)18-71-48/h20-32,34-52,56-60,62-70H,5-19H2,1-4H3/t20-,21?,22?,23?,24?,25?,26?,27-,28+,29?,30-,31-,32+,34?,35+,36-,37-,38-,39+,40-,41+,42+,43-,44-,45+,46+,47-,48+,49-,50+,51+,52+,53?,54?,55-/m1/s1
InChIKey VRHRSSKYXDMEDI-UCDRYHIUSA-N
Mol Weight 1181.3 g/mol
Molecular Formula C55H88O27
Exact Mass 1180.551298 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1cxe3k5Pyne
Name (25R)-3-BETA-[[O-BETA-D-XYLOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-G
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H88O27
InChI InChI=1S/C55H88O27/c1-20-7-10-55(73-17-20)21(2)34-29(82-55)12-26-24-6-5-22-11-23(8-9-53(22,3)25(24)13-33(61)54(26,34)4)74-50-42(69)39(66)44(32(16-58)77-50)78-52-47(46(38(65)31(15-57)76-52)80-49-41(68)36(63)28(60)19-72-49)81-51-43(70)45(37(64)30(14-56)75-51)79-48-40(67)35(62)27(59)18-71-48/h20-32,34-52,56-60,62-70H,5-19H2,1-4H3/t20-,21?,22?,23?,24?,25?,26?,27-,28+,29?,30-,31-,32+,34?,35+,36-,37-,38-,39+,40-,41+,42+,43-,44-,45+,46+,47-,48+,49-,50+,51+,52+,53?,54?,55-/m1/s1
InChIKey VRHRSSKYXDMEDI-UCDRYHIUSA-N
Literature Reference Author Y.MIMAKI,A.YOKOSUKA,Y.SASHIDA
Literature Reference Citation J.NAT.PROD.,63,1519(2000)
Literature Reference DOI 10.1021/np000230r
Molecular Weight 1181.288 g/mol
Solvent C5D5N:CD3OD=2:1
Source File Reference UWRU8627