| SpectraBase Compound ID | aTjn6FyRoM |
|---|---|
| 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+/m1/s1 |
| InChIKey | HYEVVHVCHDBWGA-WTBZHBEOSA-N |
| Mol Weight | 1021.1 g/mol |
| Molecular Formula | C48H76O23 |
| Exact Mass | 1020.477739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HDteJLREIxc |
|---|---|
| Name | DIGITOXIGENIN_BETA-D-GENTIOTRIOSYL-(1->4)-BETA-D-DIGITALOSIDE |
| Compound Number | 1 |
| 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+/m1/s1 |
| InChIKey | HYEVVHVCHDBWGA-WTBZHBEOSA-N |
| Literature Reference Author | R.HANADA,F.ABE,T.YAMAUCHI |
| Literature Reference Citation | PHYTOCHEM.,31,3183(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83471-A |
| Molecular Weight | 1021.118 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ21506 |