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(25R)-6-ALPHA-HYDROXY-5-ALPHA-SPIROSTAN-3-BETA-YL-O-BETA-D-XYLOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BE
SpectraBase Compound ID C4N3ITx7hBV
InChI InChI=1S/C55H90O27/c1-20-5-10-55(73-17-20)21(2)34-30(82-55)13-25-23-12-27(59)26-11-22(6-8-53(26,3)24(23)7-9-54(25,34)4)74-50-42(69)39(66)44(33(16-58)77-50)78-52-47(46(38(65)32(15-57)76-52)80-49-41(68)36(63)29(61)19-72-49)81-51-43(70)45(37(64)31(14-56)75-51)79-48-40(67)35(62)28(60)18-71-48/h20-52,56-70H,5-19H2,1-4H3/t20-,21?,22?,23?,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+,52+,53?,54?,55?/m1/s1
InChIKey LJRKVIYLPKSCPE-CRCDCMNGSA-N
Mol Weight 1183.3 g/mol
Molecular Formula C55H90O27
Exact Mass 1182.566948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IzwzxPtPXl4
Name (25R)-6-ALPHA-HYDROXY-5-ALPHA-SPIROSTAN-3-BETA-YL-O-BETA-D-XYLOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H90O27
InChI InChI=1S/C55H90O27/c1-20-5-10-55(73-17-20)21(2)34-30(82-55)13-25-23-12-27(59)26-11-22(6-8-53(26,3)24(23)7-9-54(25,34)4)74-50-42(69)39(66)44(33(16-58)77-50)78-52-47(46(38(65)32(15-57)76-52)80-49-41(68)36(63)29(61)19-72-49)81-51-43(70)45(37(64)31(14-56)75-51)79-48-40(67)35(62)28(60)18-71-48/h20-52,56-70H,5-19H2,1-4H3/t20-,21?,22?,23?,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+,52+,53?,54?,55?/m1/s1
InChIKey LJRKVIYLPKSCPE-CRCDCMNGSA-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 1183.303 g/mol
Solvent C5D5N:CD3OD=2:1
Source File Reference UWRU8626