| SpectraBase Compound ID | EiKP8iHV0d |
|---|---|
| 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)73-48-27-41(65-9)52(33(5)69-48)74-46-25-39(59)51(32(4)68-46)72-47-26-40(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 | SBZKGUOAXUUUQA-HHRAHSAKSA-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 | R75B5Bm6St |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE |
| Compound Number | 22 |
| 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)73-48-27-41(65-9)52(33(5)69-48)74-46-25-39(59)51(32(4)68-46)72-47-26-40(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 | SBZKGUOAXUUUQA-HHRAHSAKSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,516(2000) |
| Literature Reference DOI | 10.1248/cpb.48.516 |
| Molecular Weight | 1043.256 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU5037 |