| SpectraBase Compound ID | 56ZqV8YPOqN |
|---|---|
| InChI | InChI=1S/C41H64O17/c1-18-36(58-38-35(50)33(48)31(46)27(57-38)17-53-37-34(49)32(47)30(45)26(15-42)56-37)25(43)14-29(54-18)55-21-6-9-39(2)20(13-21)4-5-24-23(39)7-10-40(3)22(8-11-41(24,40)51)19-12-28(44)52-16-19/h12,18,20-27,29-38,42-43,45-51H,4-11,13-17H2,1-3H3/t18-,20+,21-,22+,23?,24?,25+,26-,27-,29+,30-,31-,32+,33+,34-,35-,36-,37-,38+,39-,40+,41-/m0/s1 |
| InChIKey | NQKAYUABNWNCPK-SVTUIBPFSA-N |
| Mol Weight | 828.9 g/mol |
| Molecular Formula | C41H64O17 |
| Exact Mass | 828.414351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AIgqZau1oX5 |
|---|---|
| Name | DIGITOXIGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-DIGITOXOPYRANOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H64O17 |
| InChI | InChI=1S/C41H64O17/c1-18-36(58-38-35(50)33(48)31(46)27(57-38)17-53-37-34(49)32(47)30(45)26(15-42)56-37)25(43)14-29(54-18)55-21-6-9-39(2)20(13-21)4-5-24-23(39)7-10-40(3)22(8-11-41(24,40)51)19-12-28(44)52-16-19/h12,18,20-27,29-38,42-43,45-51H,4-11,13-17H2,1-3H3/t18-,20+,21-,22+,23?,24?,25+,26-,27-,29+,30-,31-,32+,33+,34-,35-,36-,37-,38+,39-,40+,41-/m0/s1 |
| InChIKey | NQKAYUABNWNCPK-SVTUIBPFSA-N |
| Literature Reference Author | T.NAKAMURA,Y.GODA,S.SAKAI,K.KONDO,H.AKIYAMA,M.TOYODA |
| Literature Reference Citation | PHYTOCHEM.,49,2097(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00421-X |
| Molecular Weight | 828.949 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU890 |