| SpectraBase Compound ID | grbSHrWNav |
|---|---|
| InChI | InChI=1S/C30H46O9/c1-16-23(32)25(35-3)24(33)26(38-16)39-18-6-9-27(2)17(12-18)4-5-20-19(27)7-10-28-14-37-29(13-22(31)36-15-29)21(28)8-11-30(20,28)34/h16-21,23-26,32-34H,4-15H2,1-3H3/t16-,17+,18-,19-,20+,21-,23-,24-,25+,26-,27-,28-,29+,30-/m0/s1 |
| InChIKey | SAHFSRBBUCJJGW-PQYUPMBDSA-N |
| Mol Weight | 550.7 g/mol |
| Molecular Formula | C30H46O9 |
| Exact Mass | 550.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTTIGNexg31 |
|---|---|
| Name | (20-S)-18,20-EPOXY-DIGITOXIGENIN_ALPHA-L-THEVETOSIDE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O9 |
| InChI | InChI=1S/C30H46O9/c1-16-23(32)25(35-3)24(33)26(38-16)39-18-6-9-27(2)17(12-18)4-5-20-19(27)7-10-28-14-37-29(13-22(31)36-15-29)21(28)8-11-30(20,28)34/h16-21,23-26,32-34H,4-15H2,1-3H3/t16-,17+,18-,19-,20+,21-,23-,24-,25+,26-,27-,28-,29+,30-/m0/s1 |
| InChIKey | SAHFSRBBUCJJGW-PQYUPMBDSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI,A.S.C.WAN |
| Literature Reference Citation | PHYTOCHEM.,31,3189(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83472-B |
| Molecular Weight | 550.690 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ21519 |