| SpectraBase Compound ID | J5XLWWwU1Be |
|---|---|
| InChI | InChI=1S/C49H76O21/c1-20-43(68-37-15-30(53)44(21(2)63-37)69-38-16-32(65-23(4)51)45(22(3)64-38)70-46-42(59)41(58)40(57)33(18-50)67-46)29(52)14-36(62-20)66-26-9-10-47(5)25(12-26)7-8-27-28(47)13-34(55)48(6)39(24-11-35(56)61-19-24)31(54)17-49(27,48)60/h11,20-22,25-34,36-46,50,52-55,57-60H,7-10,12-19H2,1-6H3/t20-,21+,22+,25+,26-,27+,28-,29+,30-,31-,32-,33-,34+,36+,37-,38-,39-,40-,41+,42-,43-,44+,45+,46+,47-,48+,49-/m0/s1 |
| InChIKey | CMJNCFRBMBTRSY-ZSEFZWMOSA-N |
| Mol Weight | 1001.1 g/mol |
| Molecular Formula | C49H76O21 |
| Exact Mass | 1000.487909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4l8XGDmRnSU |
|---|---|
| Name | LANATOSID-D=DIGINATIGENIN-3-O-BETA-D-DIGITOXOSIDO-BETA-D-DIGITOXOSIDO-BETA-D-(3-ACETYL-DIGITOXOSIDO)-BETA-D-GLUCOSID,(3-BETA-R,5-BETA-H) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H76O21 |
| InChI | InChI=1S/C49H76O21/c1-20-43(68-37-15-30(53)44(21(2)63-37)69-38-16-32(65-23(4)51)45(22(3)64-38)70-46-42(59)41(58)40(57)33(18-50)67-46)29(52)14-36(62-20)66-26-9-10-47(5)25(12-26)7-8-27-28(47)13-34(55)48(6)39(24-11-35(56)61-19-24)31(54)17-49(27,48)60/h11,20-22,25-34,36-46,50,52-55,57-60H,7-10,12-19H2,1-6H3/t20-,21+,22+,25+,26-,27+,28-,29+,30-,31-,32-,33-,34+,36+,37-,38-,39-,40-,41+,42-,43-,44+,45+,46+,47-,48+,49-/m0/s1 |
| InChIKey | CMJNCFRBMBTRSY-ZSEFZWMOSA-N |
| Literature Reference Author | D.KRUEGER,P.JUNIOR,M.WICHTL |
| Literature Reference Citation | PLANTA.MED.,49,74(1983) |
| Literature Reference DOI | 10.1055/s-2007-969819 |
| Molecular Weight | 1001.130 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UNIW8410 |