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PAEDEROSCANDOSIDE
SpectraBase Compound ID XsOjMxUS0I
InChI InChI=1S/C36H44O22S2/c1-59-35(47)52-6-11-3-15(38)21-13(8-50-31(19(11)21)57-33-27(43)25(41)23(39)17(5-37)55-33)29(45)49-10-18-24(40)26(42)28(44)34(56-18)58-32-20-12(7-53-36(48)60-2)4-16-22(20)14(9-51-32)30(46)54-16/h3-4,8-9,15-28,31-34,37-44H,5-7,10H2,1-2H3/t15-,16+,17-,18+,19+,20-,21-,22+,23-,24+,25+,26-,27-,28+,31-,32+,33+,34-/m0/s1
InChIKey ZYXYLRAAHSMUQG-VDFUYPBUSA-N
Mol Weight 892.8 g/mol
Molecular Formula C36H44O22S2
Exact Mass 892.176565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYC1tQFFAMa
Name PAEDEROSCANDOSIDE
Compound Number 404
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H44O22S2
InChI InChI=1S/C36H44O22S2/c1-59-35(47)52-6-11-3-15(38)21-13(8-50-31(19(11)21)57-33-27(43)25(41)23(39)17(5-37)55-33)29(45)49-10-18-24(40)26(42)28(44)34(56-18)58-32-20-12(7-53-36(48)60-2)4-16-22(20)14(9-51-32)30(46)54-16/h3-4,8-9,15-28,31-34,37-44H,5-7,10H2,1-2H3/t15-,16+,17-,18+,19+,20-,21-,22+,23-,24+,25+,26-,27-,28+,31-,32+,33+,34-/m0/s1
InChIKey ZYXYLRAAHSMUQG-VDFUYPBUSA-N
Literature Reference Author B.DINDA,S.DEBNATH,Y.HARIGAYA
Literature Reference Citation CHEM.PHARM.BULL.,55,159(2007)
Literature Reference DOI 10.1248/cpb.55.159
Molecular Weight 892.852 g/mol
Sample ID 38198
Solvent CD3OD