John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=LxCNrQvJRHQ SpectraBase Spectrum ID=2vi1KFlLz9X

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ILEKUDINOSIDE-B;3-O-BETA-D-GLUCURONOPYRANOSYL-POLOMIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER
SpectraBase Compound ID LxCNrQvJRHQ
InChI InChI=1S/C42H66O15/c1-19-10-15-42(36(52)57-34-29(48)26(45)25(44)21(18-43)54-34)17-16-39(5)20(32(42)41(19,7)53)8-9-23-38(4)13-12-24(37(2,3)22(38)11-14-40(23,39)6)55-35-30(49)27(46)28(47)31(56-35)33(50)51/h8,19,21-32,34-35,43-49,53H,9-18H2,1-7H3,(H,50,51)/t19-,21-,22?,23?,24+,25-,26+,27+,28+,29-,30-,31+,32?,34+,35-,38+,39-,40-,41-,42+/m1/s1
InChIKey HCFFYRGPTPKLPK-UAOSOYIVSA-N
Mol Weight 811.0 g/mol
Molecular Formula C42H66O15
Exact Mass 810.440172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vi1KFlLz9X
Name ILEKUDINOSIDE-B;3-O-BETA-D-GLUCURONOPYRANOSYL-POLOMIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O15
InChI InChI=1S/C42H66O15/c1-19-10-15-42(36(52)57-34-29(48)26(45)25(44)21(18-43)54-34)17-16-39(5)20(32(42)41(19,7)53)8-9-23-38(4)13-12-24(37(2,3)22(38)11-14-40(23,39)6)55-35-30(49)27(46)28(47)31(56-35)33(50)51/h8,19,21-32,34-35,43-49,53H,9-18H2,1-7H3,(H,50,51)/t19-,21-,22?,23?,24+,25-,26+,27+,28+,29-,30-,31+,32?,34+,35-,38+,39-,40-,41-,42+/m1/s1
InChIKey HCFFYRGPTPKLPK-UAOSOYIVSA-N
Literature Reference Author K.NISHIMURA,T.MIYASE,H.NOGUCHI
Literature Reference Citation J.NAT.PROD.,62,1128(1999)
Literature Reference DOI 10.1021/np990128y
Molecular Weight 810.977 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCP8732
SpectraBase Batch ID 2sDkAqLlX90