| SpectraBase Compound ID | 2grKVTIEmXi |
|---|---|
| InChI | InChI=1S/C34H52O11/c1-17-30(45-31-29(39)28(38)25(36)16-42-31)24(35)14-27(43-17)44-20-6-9-32(2)19(13-20)4-5-23-22(32)7-10-33(3)21(8-11-34(23,33)40)18-12-26(37)41-15-18/h12,17,19-25,27-31,35-36,38-40H,4-11,13-16H2,1-3H3/t17-,19+,20-,21+,22-,23+,24+,25-,27+,28+,29-,30-,31+,32-,33+,34-/m0/s1 |
| InChIKey | AHHBAJLCFNWGOA-YFGOTXSCSA-N |
| Mol Weight | 636.8 g/mol |
| Molecular Formula | C34H52O11 |
| Exact Mass | 636.350962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96jEwogdCGl |
|---|---|
| Name | DIGITOXIGENIN-3-O-BETA-D-DIGITOXOSIDO-BETA-D-XYLOSID,(3-BETA-R,5-BETA-H) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52O11 |
| InChI | InChI=1S/C34H52O11/c1-17-30(45-31-29(39)28(38)25(36)16-42-31)24(35)14-27(43-17)44-20-6-9-32(2)19(13-20)4-5-23-22(32)7-10-33(3)21(8-11-34(23,33)40)18-12-26(37)41-15-18/h12,17,19-25,27-31,35-36,38-40H,4-11,13-16H2,1-3H3/t17-,19+,20-,21+,22-,23+,24+,25-,27+,28+,29-,30-,31+,32-,33+,34-/m0/s1 |
| InChIKey | AHHBAJLCFNWGOA-YFGOTXSCSA-N |
| Literature Reference Author | D.KRUEGER,M.WICHTL |
| Literature Reference Citation | PLANTA.MED.,50,267(1984) |
| Literature Reference DOI | 10.1055/s-2007-969697 |
| Molecular Weight | 636.780 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UNIW8420 |