| SpectraBase Compound ID | BD7xmIlPi2Z |
|---|---|
| InChI | InChI=1S/C42H66O17/c1-19-37(59-39-36(50)34(48)32(46)28(58-39)18-54-38-35(49)33(47)31(45)27(16-43)57-38)26(52-4)15-30(55-19)56-22-7-10-40(2)21(14-22)5-6-25-24(40)8-11-41(3)23(9-12-42(25,41)51)20-13-29(44)53-17-20/h13,19,21-28,30-39,43,45-51H,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+/m1/s1 |
| InChIKey | ITKDSJDYFJAVTJ-JDMWEENUSA-N |
| Mol Weight | 843.0 g/mol |
| Molecular Formula | C42H66O17 |
| Exact Mass | 842.430001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5zPSIZCg06d |
|---|---|
| Name | DIGITOXIGENIN-BETA-GENTIOBIOSYL-ALPHA-L-CYMAROPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O17 |
| InChI | InChI=1S/C42H66O17/c1-19-37(59-39-36(50)34(48)32(46)28(58-39)18-54-38-35(49)33(47)31(45)27(16-43)57-38)26(52-4)15-30(55-19)56-22-7-10-40(2)21(14-22)5-6-25-24(40)8-11-41(3)23(9-12-42(25,41)51)20-13-29(44)53-17-20/h13,19,21-28,30-39,43,45-51H,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+/m1/s1 |
| InChIKey | ITKDSJDYFJAVTJ-JDMWEENUSA-N |
| Literature Reference Author | T.YAMAUCHI,F.ABE,T.SANTISUK |
| Literature Reference Citation | PHYTOCHEM.,29,1961(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85048-K |
| Molecular Weight | 842.976 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU32227 |