| SpectraBase Compound ID | 22ItkLKIfPu |
|---|---|
| InChI | InChI=1S/C42H66O16/c1-20-35(47)29(51-8)18-34(52-20)58-37-22(3)54-33(17-28(37)46)57-36-21(2)53-32(16-27(36)45)56-26-10-11-38(6)25(15-26)9-12-41(49)30(38)19-31(55-24(5)44)39(7)40(48,23(4)43)13-14-42(39,41)50/h9,20-22,26-37,45-50H,10-19H2,1-8H3/t20-,21+,22+,26?,27-,28-,29-,30-,31-,32-,33-,34+,35-,36+,37+,38+,39-,40-,41+,42-/m1/s1 |
| InChIKey | OQIBAKBNODPWBP-VKBNHXSSSA-N |
| Mol Weight | 827.0 g/mol |
| Molecular Formula | C42H66O16 |
| Exact Mass | 826.435086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Sv9kSvTJJT |
|---|---|
| Name | METAPLEXIGENIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O16 |
| InChI | InChI=1S/C42H66O16/c1-20-35(47)29(51-8)18-34(52-20)58-37-22(3)54-33(17-28(37)46)57-36-21(2)53-32(16-27(36)45)56-26-10-11-38(6)25(15-26)9-12-41(49)30(38)19-31(55-24(5)44)39(7)40(48,23(4)43)13-14-42(39,41)50/h9,20-22,26-37,45-50H,10-19H2,1-8H3/t20-,21+,22+,26?,27-,28-,29-,30-,31-,32-,33-,34+,35-,36+,37+,38+,39-,40-,41+,42-/m1/s1 |
| InChIKey | OQIBAKBNODPWBP-VKBNHXSSSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,53,485(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00560-9 |
| Molecular Weight | 826.976 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU2034 |