| 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
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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 |