| SpectraBase Compound ID | GKylqijtwJB |
|---|---|
| InChI | InChI=1S/C42H66O18/c1-19-36(60-38-35(50)33(48)31(46)26(59-38)18-55-37-34(49)32(47)30(45)25(16-43)58-37)24(53-4)15-29(56-19)57-22-6-9-39(2)21(14-22)5-11-41(51)27(39)8-10-40(3)23(7-12-42(40,41)52)20-13-28(44)54-17-20/h13,19,21-27,29-38,43,45-52H,5-12,14-18H2,1-4H3/t19-,21-,22+,23-,24-,25+,26+,27-,29+,30+,31+,32-,33-,34+,35+,36+,37+,38-,39+,40-,41+,42-/m1/s1 |
| InChIKey | FCLFABXEUQQISR-LTZNDFGGSA-N |
| Mol Weight | 859.0 g/mol |
| Molecular Formula | C42H66O18 |
| Exact Mass | 858.424915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9D3ymaLPURE |
|---|---|
| Name | 8-BETA-HYDROXYDIGITOXIGENIN-BETA-NERITRIOSIDE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O18 |
| InChI | InChI=1S/C42H66O18/c1-19-36(60-38-35(50)33(48)31(46)26(59-38)18-55-37-34(49)32(47)30(45)25(16-43)58-37)24(53-4)15-29(56-19)57-22-6-9-39(2)21(14-22)5-11-41(51)27(39)8-10-40(3)23(7-12-42(40,41)52)20-13-28(44)54-17-20/h13,19,21-27,29-38,43,45-52H,5-12,14-18H2,1-4H3/t19-,21-,22+,23-,24-,25+,26+,27-,29+,30+,31+,32-,33-,34+,35+,36+,37+,38-,39+,40-,41+,42-/m1/s1 |
| InChIKey | FCLFABXEUQQISR-LTZNDFGGSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | PHYTOCHEM.,31,2459(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83299-E |
| Molecular Weight | 858.975 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU28804 |