John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=GPMpbgSsqn6 SpectraBase Spectrum ID=1kHIqXmoocC

(accessed ).
OBTUSINE-20(R)-O-[BETA-THEVETOPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSIDE]
SpectraBase Compound ID GPMpbgSsqn6
InChI InChI=1S/C38H63NO12/c1-18-28(41)32(46-8)29(42)34(49-18)51-30-19(2)48-26(16-25(30)45-7)50-20(3)38(44)33-31(47-17-37(6,43)39-33)27-23-10-9-21-15-22(40)11-13-35(21,4)24(23)12-14-36(27,38)5/h9,18-20,22-34,39-44H,10-17H2,1-8H3/t18-,19+,20-,22-,23?,24?,25-,26-,27?,28-,29-,30+,31+,32+,33-,34+,35-,36-,37-,38-/m0/s1
InChIKey JZWBAVLCSSNGAA-PATSYLGVSA-N
Mol Weight 725.9 g/mol
Molecular Formula C38H63NO12
Exact Mass 725.435027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kHIqXmoocC
Name OBTUSINE-20(R)-O-[BETA-THEVETOPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSIDE]
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H63NO12
InChI InChI=1S/C38H63NO12/c1-18-28(41)32(46-8)29(42)34(49-18)51-30-19(2)48-26(16-25(30)45-7)50-20(3)38(44)33-31(47-17-37(6,43)39-33)27-23-10-9-21-15-22(40)11-13-35(21,4)24(23)12-14-36(27,38)5/h9,18-20,22-34,39-44H,10-17H2,1-8H3/t18-,19+,20-,22-,23?,24?,25-,26-,27?,28-,29-,30+,31+,32+,33-,34+,35-,36-,37-,38-/m0/s1
InChIKey JZWBAVLCSSNGAA-PATSYLGVSA-N
Literature Reference Author A.PAULO,M.L.JIMENO,E.T.GOMES,P.J.HOUGHTON
Literature Reference Citation PHYTOCHEM.,53,417(2000)
Literature Reference DOI 10.1016/S0031-9422(99)00568-3
Molecular Weight 725.918 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWLU2011
SpectraBase Batch ID IXoFOgpcKCI