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YFSAIZBRNNXWIY-FJPMKKMMSA-N
SpectraBase Compound ID 2cMItFmvlq5
InChI InChI=1S/C37H48O23S2/c1-51-30(47)14-9-53-32(20-12(4-16(39)22(14)20)7-55-36(49)61-2)60-35-29(46)27(44)25(42)19(58-35)11-52-31(48)15-10-54-33(59-34-28(45)26(43)24(41)18(6-38)57-34)21-13(5-17(40)23(15)21)8-56-37(50)62-3/h4-5,9-10,16-29,32-35,38-46H,6-8,11H2,1-3H3/t16-,17+,18+,19+,20+,21-,22-,23+,24+,25+,26-,27-,28+,29+,32-,33+,34-,35-/m1/s1
InChIKey YFSAIZBRNNXWIY-FJPMKKMMSA-N
Mol Weight 924.9 g/mol
Molecular Formula C37H48O23S2
Exact Mass 924.20278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1sLiQhxElr
Name DIMER-OF-PAEDEROSIDIC-ACID-AND-PAEDEROSIDIC-ACID-METHYLESTER
Compound Number 401
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H48O23S2
InChI InChI=1S/C37H48O23S2/c1-51-30(47)14-9-53-32(20-12(4-16(39)22(14)20)7-55-36(49)61-2)60-35-29(46)27(44)25(42)19(58-35)11-52-31(48)15-10-54-33(59-34-28(45)26(43)24(41)18(6-38)57-34)21-13(5-17(40)23(15)21)8-56-37(50)62-3/h4-5,9-10,16-29,32-35,38-46H,6-8,11H2,1-3H3/t16-,17+,18+,19+,20+,21-,22-,23+,24+,25+,26-,27-,28+,29+,32-,33+,34-,35-/m1/s1
InChIKey YFSAIZBRNNXWIY-FJPMKKMMSA-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 924.894 g/mol
Sample ID 38195
Solvent CD3OD