SpectraBase Compound ID | XsOjMxUS0I |
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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 |
SpectraBase Spectrum ID | AYC1tQFFAMa |
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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 |