| SpectraBase Compound ID | KKOlwsSsdCr |
|---|---|
| InChI | InChI=1S/C55H83NO18/c1-28(57)36-16-19-55(61)53(36,7)42(71-51(59)33-13-12-20-56-27-33)26-41-52(6)17-15-35(21-34(52)14-18-54(41,55)60)70-43-23-38(63-9)48(30(3)67-43)73-45-25-40(65-11)50(32(5)69-45)74-46-24-39(64-10)49(31(4)68-46)72-44-22-37(62-8)47(58)29(2)66-44/h12-14,20,27,29-32,35-50,58,60-61H,15-19,21-26H2,1-11H3/t29-,30+,31+,32-,35-,36-,37+,38-,39+,40+,41+,42+,43-,44+,45+,46-,47-,48+,49+,50-,52-,53-,54-,55+/m0/s1 |
| InChIKey | FKAUVIFTTGMCST-MGHYZSOLSA-N |
| Mol Weight | 1046.3 g/mol |
| Molecular Formula | C55H83NO18 |
| Exact Mass | 1045.561015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGGaGEvHKBy |
|---|---|
| Name | #14;SYRIACOSIDE-J;12-O-NICITINOYLLINEOLON-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H83NO18 |
| InChI | InChI=1S/C55H83NO18/c1-28(57)36-16-19-55(61)53(36,7)42(71-51(59)33-13-12-20-56-27-33)26-41-52(6)17-15-35(21-34(52)14-18-54(41,55)60)70-43-23-38(63-9)48(30(3)67-43)73-45-25-40(65-11)50(32(5)69-45)74-46-24-39(64-10)49(31(4)68-46)72-44-22-37(62-8)47(58)29(2)66-44/h12-14,20,27,29-32,35-50,58,60-61H,15-19,21-26H2,1-11H3/t29-,30+,31+,32-,35-,36-,37+,38-,39+,40+,41+,42+,43-,44+,45+,46-,47-,48+,49+,50-,52-,53-,54-,55+/m0/s1 |
| InChIKey | FKAUVIFTTGMCST-MGHYZSOLSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,177(2009) |
| Literature Reference DOI | 10.1248/cpb.57.177 |
| Molecular Weight | 1046.260 g/mol |
| Sample ID | 2244 |
| Solvent | C5D5N |