| SpectraBase Compound ID | BONBmR30iD3 |
|---|---|
| InChI | InChI=1S/C35H52O20/c1-6-14-15(8-22(46-3)47-4)17(11-49-32(14)54-34-28(42)26(40)24(38)20(9-36)52-34)31(45)51-19-7-16-18(30(44)48-5)12-50-33(23(16)13(19)2)55-35-29(43)27(41)25(39)21(10-37)53-35/h6,11-16,19-29,32-43H,1,7-10H2,2-5H3/t13-,14+,15-,16+,19?,20-,21-,23+,24-,25-,26+,27+,28-,29-,32-,33-,34+,35+/m0/s1 |
| InChIKey | DNZCAZQBJHUVDX-WDIWLOOZSA-N |
| Mol Weight | 792.8 g/mol |
| Molecular Formula | C35H52O20 |
| Exact Mass | 792.305194 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BxDu4nftZc9 |
|---|---|
| Name | COCCULOSIDE |
| Compound Number | 70 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O20 |
| InChI | InChI=1S/C35H52O20/c1-6-14-15(8-22(46-3)47-4)17(11-49-32(14)54-34-28(42)26(40)24(38)20(9-36)52-34)31(45)51-19-7-16-18(30(44)48-5)12-50-33(23(16)13(19)2)55-35-29(43)27(41)25(39)21(10-37)53-35/h6,11-16,19-29,32-43H,1,7-10H2,2-5H3/t13-,14+,15-,16+,19?,20-,21-,23+,24-,25-,26+,27+,28-,29-,32-,33-,34+,35+/m0/s1 |
| InChIKey | DNZCAZQBJHUVDX-WDIWLOOZSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,R.BANIK |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,803(2011) |
| Literature Reference DOI | 10.1248/cpb.59.803 |
| Molecular Weight | 792.786 g/mol |
| Source File Reference | UWIR3299 |