| SpectraBase Compound ID | DihUNwZRTSQ |
|---|---|
| InChI | InChI=1S/C56H82O18/c1-29(57)37-19-22-56(63)54(37,7)43(71-44(60)16-15-34-13-11-10-12-14-34)28-42-53(6)20-18-36(23-35(53)17-21-55(42,56)62)70-45-24-38(58)50(31(3)67-45)72-46-25-39(59)51(32(4)68-46)73-48-27-41(65-9)52(33(5)69-48)74-47-26-40(64-8)49(61)30(2)66-47/h10-17,30-33,36-43,45-52,58-59,61-63H,18-28H2,1-9H3/b16-15+/t30-,31-,32-,33+,36-,37-,38+,39+,40-,41-,42+,43+,45+,46+,47+,48-,49-,50-,51-,52+,53-,54-,55-,56+/m0/s1 |
| InChIKey | AZTNOIOYXCDCTQ-CBZDPWRESA-N |
| Mol Weight | 1043.3 g/mol |
| Molecular Formula | C56H82O18 |
| Exact Mass | 1042.550116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRpFTcULdQB |
|---|---|
| Name | SYRIACOSIDE-H;IKEMAGENIN-3-O-BETA-D-OLEANDOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXYPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H82O18 |
| InChI | InChI=1S/C56H82O18/c1-29(57)37-19-22-56(63)54(37,7)43(71-44(60)16-15-34-13-11-10-12-14-34)28-42-53(6)20-18-36(23-35(53)17-21-55(42,56)62)70-45-24-38(58)50(31(3)67-45)72-46-25-39(59)51(32(4)68-46)73-48-27-41(65-9)52(33(5)69-48)74-47-26-40(64-8)49(61)30(2)66-47/h10-17,30-33,36-43,45-52,58-59,61-63H,18-28H2,1-9H3/b16-15+/t30-,31-,32-,33+,36-,37-,38+,39+,40-,41-,42+,43+,45+,46+,47+,48-,49-,50-,51-,52+,53-,54-,55-,56+/m0/s1 |
| InChIKey | AZTNOIOYXCDCTQ-CBZDPWRESA-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 | 1043.256 g/mol |
| Sample ID | 2242 |
| Solvent | C5D5N |