| SpectraBase Compound ID | 7lq0rmf9V7l |
|---|---|
| InChI | InChI=1S/C36H44O22S2/c1-59-35(47)51-7-11-3-15(39)21-13(9-49-31(19(11)21)57-33-26(43)24(41)23(40)17(5-37)54-33)30(46)56-28-18(6-38)55-34(27(44)25(28)42)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 | RBRARIWTTVQNIK-NJEUIBIWSA-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 | 6QDjxpOyvZw |
|---|---|
| Name | PAEDEROSIDE-B |
| Compound Number | 168 |
| 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)57-33-26(43)24(41)23(40)17(5-37)54-33)30(46)56-28-18(6-38)55-34(27(44)25(28)42)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 | RBRARIWTTVQNIK-NJEUIBIWSA-N |
| Literature Reference Author | B.DINDA,D.R.CHOWDHURY,B.C.MOHANTA |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,765(2009) |
| Literature Reference DOI | 10.1248/cpb.57.765 |
| Molecular Weight | 892.852 g/mol |
| Sample ID | 2766 |
| Solvent | CD3OD |