| SpectraBase Compound ID | 3ybL2QM67Jg |
|---|---|
| InChI | InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1 |
| InChIKey | VPUNMTHWNSJUOG-OHIZAEECSA-N |
| Mol Weight | 534.7 g/mol |
| Molecular Formula | C30H46O8 |
| Exact Mass | 534.319268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lt4FvrGGZtq |
|---|---|
| Name | DIGITOXIGENIN-ALPHA-L-ACOFRIOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O8 |
| InChI | InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1 |
| InChIKey | VPUNMTHWNSJUOG-OHIZAEECSA-N |
| Literature Reference Author | T.YAMAUCHI,F.ABE,A.S.C.WAN |
| Literature Reference Citation | CHEM.PHARM.BULL.,35,2744(1987) |
| Literature Reference DOI | 10.1248/cpb.35.2744 |
| Molecular Weight | 534.690 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK232 |