| SpectraBase Compound ID | FRtO8RokeYO |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-22-40(54)33(58-9)20-39(59-22)67-43-25(4)62-38(19-32(43)53)66-42-24(3)61-37(18-31(42)52)65-41-23(2)60-36(17-30(41)51)64-29-11-12-44(7)28(16-29)10-13-47(56)34(44)21-35(63-27(6)50)45(8)46(55,26(5)49)14-15-48(45,47)57/h10,22-25,29-43,51-57H,11-21H2,1-9H3/t22-,23-,24-,25-,29-,30+,31+,32+,33-,34+,35+,36+,37+,38+,39?,40-,41-,42-,43-,44-,45+,46+,47-,48+/m0/s1 |
| InChIKey | SUDSADAZMZSCKM-RHELWTHPSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ujVLj3T1Zo |
|---|---|
| Name | METAPLEXIGENIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-22-40(54)33(58-9)20-39(59-22)67-43-25(4)62-38(19-32(43)53)66-42-24(3)61-37(18-31(42)52)65-41-23(2)60-36(17-30(41)51)64-29-11-12-44(7)28(16-29)10-13-47(56)34(44)21-35(63-27(6)50)45(8)46(55,26(5)49)14-15-48(45,47)57/h10,22-25,29-43,51-57H,11-21H2,1-9H3/t22-,23-,24-,25-,29-,30+,31+,32+,33-,34+,35+,36+,37+,38+,39?,40-,41-,42-,43-,44-,45+,46+,47-,48+/m0/s1 |
| InChIKey | SUDSADAZMZSCKM-RHELWTHPSA-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 | 957.120 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU2036 |