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WITHALONGOLIDE_H;27-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSYLWITHAFERIN_A
SpectraBase Compound ID 5kRvdWsCSHe
InChI InChI=1S/C40H58O15/c1-16-12-24(17(2)21-6-7-22-19-13-28-40(55-28)27(43)9-8-26(42)39(40,5)23(19)10-11-38(21,22)4)52-35(49)20(16)15-50-36-33(48)31(46)34(25(14-41)53-36)54-37-32(47)30(45)29(44)18(3)51-37/h8-9,17-19,21-25,27-34,36-37,41,43-48H,6-7,10-15H2,1-5H3/t17-,18+,19-,21+,22-,23-,24-,25+,27-,28+,29+,30-,31+,32-,33+,34+,36+,37+,38+,39-,40+/m0/s1
InChIKey KWSCHTSFNFDQSG-ZXYOWYIFSA-N
Mol Weight 778.9 g/mol
Molecular Formula C40H58O15
Exact Mass 778.377571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9c9oQ9WiSje
Name WITHALONGOLIDE_H;27-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSYLWITHAFERIN_A
Compound Number 8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H58O15
InChI InChI=1S/C40H58O15/c1-16-12-24(17(2)21-6-7-22-19-13-28-40(55-28)27(43)9-8-26(42)39(40,5)23(19)10-11-38(21,22)4)52-35(49)20(16)15-50-36-33(48)31(46)34(25(14-41)53-36)54-37-32(47)30(45)29(44)18(3)51-37/h8-9,17-19,21-25,27-34,36-37,41,43-48H,6-7,10-15H2,1-5H3/t17-,18+,19-,21+,22-,23-,24-,25+,27-,28+,29+,30-,31+,32-,33+,34+,36+,37+,38+,39-,40+/m0/s1
InChIKey KWSCHTSFNFDQSG-ZXYOWYIFSA-N
Literature Reference Author H.ZHANG,A.K.SAMADI,R.J.GALLAGHER,J.J.ARAYA,X.TONG,V.W.DAY,M. S.COHEN,K.KINDSCHER,
Literature Reference Citation J.NAT.PROD.,74,2532(2011)
Literature Reference DOI 10.1021/np200635r
Molecular Weight 778.892 g/mol
Sample ID 39631
Solvent C5D5N