![DIGITOXIGENIN-3-BETA-O-[BETA-D-GLUCOPYRANOSYL-2'-BETA-D-GLUCOPYRANOSIDE];DIGITOXIGENIN-BETA-D-SOPHOROSIDE](/api/spectrum/Gstv93iUHvy/structure.png?h=300&w=458 "DIGITOXIGENIN-3-BETA-O-[BETA-D-GLUCOPYRANOSYL-2'-BETA-D-GLUCOPYRANOSIDE];DIGITOXIGENIN-BETA-D-SOPHOROSIDE")
| SpectraBase Compound ID | KAGPVw6vzPQ |
|---|---|
| InChI | InChI=1S/C35H54O14/c1-33-8-5-18(46-32-30(28(42)26(40)23(14-37)48-32)49-31-29(43)27(41)25(39)22(13-36)47-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(38)45-15-16/h11,17-23,25-32,36-37,39-44H,3-10,12-15H2,1-2H3/t17-,18+,19-,20?,21?,22-,23-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+/m1/s1 |
| InChIKey | RIPMDUQTRRLJTE-VHDDNFISSA-N |
| Mol Weight | 698.8 g/mol |
| Molecular Formula | C35H54O14 |
| Exact Mass | 698.351356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gstv93iUHvy |
|---|---|
| Name | DIGITOXIGENIN-3-BETA-O-[BETA-D-GLUCOPYRANOSYL-2'-BETA-D-GLUCOPYRANOSIDE];DIGITOXIGENIN-BETA-D-SOPHOROSIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O14 |
| InChI | InChI=1S/C35H54O14/c1-33-8-5-18(46-32-30(28(42)26(40)23(14-37)48-32)49-31-29(43)27(41)25(39)22(13-36)47-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(38)45-15-16/h11,17-23,25-32,36-37,39-44H,3-10,12-15H2,1-2H3/t17-,18+,19-,20?,21?,22-,23-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+/m1/s1 |
| InChIKey | RIPMDUQTRRLJTE-VHDDNFISSA-N |
| Literature Reference Author | K.KAWAGUCHI,M.HIROTANI,T.YOSHIKAWA,T.FURUYA |
| Literature Reference Citation | PHYTOCHEM.,29,837(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80029-G |
| Molecular Weight | 698.805 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN29434 |