| SpectraBase Compound ID | HfccoW7W5ya |
|---|---|
| InChI | InChI=1S/C48H76O23/c1-19-40(71-44-38(59)35(56)32(53)28(70-44)18-65-43-37(58)34(55)31(52)27(69-43)17-64-42-36(57)33(54)30(51)26(15-49)68-42)41(62-4)39(60)45(66-19)67-22-7-10-46(2)21(14-22)5-6-25-24(46)8-11-47(3)23(9-12-48(25,47)61)20-13-29(50)63-16-20/h13,19,21-28,30-45,49,51-61H,5-12,14-18H2,1-4H3/t19-,21+,22-,23+,24-,25+,26-,27-,28-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43-,44+,45-,46-,47+,48-/m0/s1 |
| InChIKey | HYEVVHVCHDBWGA-ADNIRPHWSA-N |
| Mol Weight | 1021.1 g/mol |
| Molecular Formula | C48H76O23 |
| Exact Mass | 1020.477739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FchuSi8TuMo |
|---|---|
| Name | DIGITOXIGENIN-BETA-D-GENTIOTRIOSYL-(1->4)-ALPHA-L-THEVETOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O23 |
| InChI | InChI=1S/C48H76O23/c1-19-40(71-44-38(59)35(56)32(53)28(70-44)18-65-43-37(58)34(55)31(52)27(69-43)17-64-42-36(57)33(54)30(51)26(15-49)68-42)41(62-4)39(60)45(66-19)67-22-7-10-46(2)21(14-22)5-6-25-24(46)8-11-47(3)23(9-12-48(25,47)61)20-13-29(50)63-16-20/h13,19,21-28,30-45,49,51-61H,5-12,14-18H2,1-4H3/t19-,21+,22-,23+,24-,25+,26-,27-,28-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43-,44+,45-,46-,47+,48-/m0/s1 |
| InChIKey | HYEVVHVCHDBWGA-ADNIRPHWSA-N |
| Literature Reference Author | T.YAMAUCHI,F.ABE,A.S.C.WAN |
| Literature Reference Citation | CHEM.PHARM.BULL.,35,4813(1987) |
| Literature Reference DOI | 10.1248/cpb.35.4813 |
| Molecular Weight | 1021.118 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1158 |