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CASSIASIDE-C;TORALACTONE-9-O-BETA-D-GLUCOPYRANOSYL-(1->6)-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 3mPuvMKeXCh
InChI InChI=1S/C27H32O15/c1-9-3-10-4-11-5-12(37-2)6-13(16(11)20(31)17(10)25(36)39-9)40-27-24(35)22(33)19(30)15(42-27)8-38-26-23(34)21(32)18(29)14(7-28)41-26/h3-6,14-15,18-19,21-24,26-35H,7-8H2,1-2H3/t14-,15-,18-,19-,21+,22+,23-,24-,26-,27-/m1/s1
InChIKey GBGJNKYTLIUCMX-YUMVGKRXSA-N
Mol Weight 596.5 g/mol
Molecular Formula C27H32O15
Exact Mass 596.17412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 61QBwJuyDI4
Name CASSIASIDE-C;TORALACTONE-9-O-BETA-D-GLUCOPYRANOSYL-(1->6)-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O15
InChI InChI=1S/C27H32O15/c1-9-3-10-4-11-5-12(37-2)6-13(16(11)20(31)17(10)25(36)39-9)40-27-24(35)22(33)19(30)15(42-27)8-38-26-23(34)21(32)18(29)14(7-28)41-26/h3-6,14-15,18-19,21-24,26-35H,7-8H2,1-2H3/t14-,15-,18-,19-,21+,22+,23-,24-,26-,27-/m1/s1
InChIKey GBGJNKYTLIUCMX-YUMVGKRXSA-N
Literature Reference Author S.KITANAKA,T.NAKAYAMA,T.SHIBANO,E.OHKOSHI,M.TAKIDO
Literature Reference Citation CHEM.PHARM.BULL.,46,1650(1998)
Literature Reference DOI 10.1248/cpb.46.1650
Molecular Weight 596.542 g/mol
Solvent DMSO-D6:D2O=19:1
Source File Reference UWMS20759