| SpectraBase Compound ID | 2w0mkTayXei |
|---|---|
| InChI | InChI=1S/C36H54O14/c1-17-29(50-31-27(41)26(40)25(39)22(15-37)49-31)30(45-4)28(42)32(47-17)48-20-6-9-33(2)19(14-20)5-11-35(43)23(33)8-10-34(3)21(7-12-36(34,35)44)18-13-24(38)46-16-18/h7,13,17,19-20,22-23,25-32,37,39-44H,5-6,8-12,14-16H2,1-4H3/t17-,19-,20+,22+,23-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34-,35+,36-/m1/s1 |
| InChIKey | GPVRQHPUUBOMSQ-BDXNPOKYSA-N |
| Mol Weight | 710.8 g/mol |
| Molecular Formula | C36H54O14 |
| Exact Mass | 710.351356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1J9Jpl2UzWw |
|---|---|
| Name | DELTA(16)-8-BETA-HYDROXYDIGITOXIGENIN-BETA-ODOROBIOSIDE |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O14 |
| InChI | InChI=1S/C36H54O14/c1-17-29(50-31-27(41)26(40)25(39)22(15-37)49-31)30(45-4)28(42)32(47-17)48-20-6-9-33(2)19(14-20)5-11-35(43)23(33)8-10-34(3)21(7-12-36(34,35)44)18-13-24(38)46-16-18/h7,13,17,19-20,22-23,25-32,37,39-44H,5-6,8-12,14-16H2,1-4H3/t17-,19-,20+,22+,23-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34-,35+,36-/m1/s1 |
| InChIKey | GPVRQHPUUBOMSQ-BDXNPOKYSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | PHYTOCHEM.,31,2459(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83299-E |
| Molecular Weight | 710.816 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU28806 |