| SpectraBase Compound ID | CioT1uNy81l |
|---|---|
| InChI | InChI=1S/C36H44O22S2/c1-59-35(47)51-7-11-3-15(39)21-13(9-49-31(19(11)21)57-33-27(44)25(42)23(40)17(5-37)54-33)30(46)56-28-26(43)24(41)18(6-38)55-34(28)58-32-20-12(8-52-36(48)60-2)4-16-22(20)14(10-50-32)29(45)53-16/h3-4,9-10,15-28,31-34,37-44H,5-8H2,1-2H3/t15-,16+,17-,18+,19+,20-,21-,22+,23-,24+,25+,26-,27-,28+,31-,32+,33+,34-/m0/s1 |
| InChIKey | YUOFAUXZZZPWPA-VDFUYPBUSA-N |
| Mol Weight | 892.8 g/mol |
| Molecular Formula | C36H44O22S2 |
| Exact Mass | 892.176565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | INMmb9waTEw |
|---|---|
| Name | DIMER-OF-PAEDEROSIDIC-ACID-AND-PAEDEROSIDE |
| Compound Number | 402 |
| 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)51-7-11-3-15(39)21-13(9-49-31(19(11)21)57-33-27(44)25(42)23(40)17(5-37)54-33)30(46)56-28-26(43)24(41)18(6-38)55-34(28)58-32-20-12(8-52-36(48)60-2)4-16-22(20)14(10-50-32)29(45)53-16/h3-4,9-10,15-28,31-34,37-44H,5-8H2,1-2H3/t15-,16+,17-,18+,19+,20-,21-,22+,23-,24+,25+,26-,27-,28+,31-,32+,33+,34-/m0/s1 |
| InChIKey | YUOFAUXZZZPWPA-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 | 38196 |
| Solvent | CD3OD |