| SpectraBase Compound ID | D4iJvLBgjZc |
|---|---|
| InChI | InChI=1S/C42H64O17/c1-20-36(58-32-15-28(52-4)37(21(2)55-32)59-38-35(49)34(48)33(47)29(17-43)57-38)27(45)14-31(54-20)56-23-5-10-40(19-44)25-6-9-39(3)24(22-13-30(46)53-18-22)8-12-42(39,51)26(25)7-11-41(40,50)16-23/h13,19-21,23-29,31-38,43,45,47-51H,5-12,14-18H2,1-4H3/t20-,21-,23+,24-,25+,26-,27+,28+,29-,31-,32-,33-,34+,35-,36+,37-,38+,39-,40+,41+,42+/m1/s1 |
| InChIKey | YNIHVLPYSXTVDC-PRHVLEFCSA-N |
| Mol Weight | 841.0 g/mol |
| Molecular Formula | C42H64O17 |
| Exact Mass | 840.414351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J5Iup3Vup7T |
|---|---|
| Name | STROPHANTHIDIN_3-O-BETA-D-DIGITOXOSIDO-ALPHA-L-CYMAROSIDO-BETA-D-GLUCOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H64O17 |
| InChI | InChI=1S/C42H64O17/c1-20-36(58-32-15-28(52-4)37(21(2)55-32)59-38-35(49)34(48)33(47)29(17-43)57-38)27(45)14-31(54-20)56-23-5-10-40(19-44)25-6-9-39(3)24(22-13-30(46)53-18-22)8-12-42(39,51)26(25)7-11-41(40,50)16-23/h13,19-21,23-29,31-38,43,45,47-51H,5-12,14-18H2,1-4H3/t20-,21-,23+,24-,25+,26-,27+,28+,29-,31-,32-,33-,34+,35-,36+,37-,38+,39-,40+,41+,42+/m1/s1 |
| InChIKey | YNIHVLPYSXTVDC-PRHVLEFCSA-N |
| Literature Reference Author | B.KOPP,L.KRENN,E.KUBELKA,W.KUBELKA |
| Literature Reference Citation | PHYTOCHEM.,31,3195(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83473-C |
| Molecular Weight | 840.960 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWMZ21535 |