| SpectraBase Compound ID | 6BC1C5nG4MT |
|---|---|
| InChI | InChI=1S/C41H64O17/c1-19-32(58-35-30(46)29(45)28(44)26(57-35)16-53-37-34(48)40(49,17-42)18-54-37)33(51-4)31(47)36(55-19)56-22-7-10-38(2)21(14-22)5-6-25-24(38)8-11-39(3)23(9-12-41(25,39)50)20-13-27(43)52-15-20/h13,19,21-26,28-37,42,44-50H,5-12,14-18H2,1-4H3/t19-,21+,22-,23-,24-,25+,26-,28-,29+,30-,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41-/m0/s1 |
| InChIKey | PIGKHGWUDBMAES-HDDOQFLESA-N |
| Mol Weight | 828.9 g/mol |
| Molecular Formula | C41H64O17 |
| Exact Mass | 828.414351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dnrr2LVcDES |
|---|---|
| Name | 17-ALPHA-DIGITOXIGENIN-BETA-D-APIOSYL-(1->6)-BETA-D-GLUCOSYL-(1->4)-ALPHA-L-THEVETOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H64O17 |
| InChI | InChI=1S/C41H64O17/c1-19-32(58-35-30(46)29(45)28(44)26(57-35)16-53-37-34(48)40(49,17-42)18-54-37)33(51-4)31(47)36(55-19)56-22-7-10-38(2)21(14-22)5-6-25-24(38)8-11-39(3)23(9-12-41(25,39)50)20-13-27(43)52-15-20/h13,19,21-26,28-37,42,44-50H,5-12,14-18H2,1-4H3/t19-,21+,22-,23-,24-,25+,26-,28-,29+,30-,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41-/m0/s1 |
| InChIKey | PIGKHGWUDBMAES-HDDOQFLESA-N |
| Literature Reference Author | T.YAMAUCHI,F.ABE,A.S.C.WAN |
| Literature Reference Citation | CHEM.PHARM.BULL.,35,4993(1987) |
| Literature Reference DOI | 10.1248/cpb.35.4993 |
| Molecular Weight | 828.949 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1026 |