| SpectraBase Compound ID | KqxeshhiNl5 |
|---|---|
| InChI | InChI=1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23?,24?,25-,26-,28-,29-,30+,31+,32-,33-,34+,35-,36-,37-,38+,39+,40-,41+,42-/m0/s1 |
| InChIKey | GZVMBXDQUQRICT-JIDQEEEPSA-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 | KbjQDIeFg6f |
|---|---|
| Name | DIGITOXIGENIN-BETA-GENTIOBIOSYL-ALPHA-L-ACOFRIOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O18 |
| InChI | InChI=1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23?,24?,25-,26-,28-,29-,30+,31+,32-,33-,34+,35-,36-,37-,38+,39+,40-,41+,42-/m0/s1 |
| InChIKey | GZVMBXDQUQRICT-JIDQEEEPSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,31,251(1992) |
| Literature Reference DOI | 10.1016/0031-9422(91)83047-O |
| Molecular Weight | 858.975 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5300 |