| SpectraBase Compound ID | FCsHrVdAQl8 |
|---|---|
| InChI | InChI=1S/C28H30O12/c29-13-21-24(34)25(35)26(36)28(40-21)39-20-11-18(10-3-14-1-6-16(30)7-2-14)38-27(37)23(20)19(12-22(32)33)15-4-8-17(31)9-5-15/h1-2,4-9,11,19,21,24-26,28-31,34-36H,3,10,12-13H2,(H,32,33)/t19?,21-,24-,25+,26-,28-/m0/s1 |
| InChIKey | NEWSNYYGVVOWJN-POTIOHBKSA-N |
| Mol Weight | 558.54 g/mol |
| Molecular Formula | C28H30O12 |
| Exact Mass | 558.173726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8xAA5kx3rfD |
|---|---|
| Name | 7,8-DIDEHYDRO-IRESINOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H30O12 |
| InChI | InChI=1S/C28H30O12/c29-13-21-24(34)25(35)26(36)28(40-21)39-20-11-18(10-3-14-1-6-16(30)7-2-14)38-27(37)23(20)19(12-22(32)33)15-4-8-17(31)9-5-15/h1-2,4-9,11,19,21,24-26,28-31,34-36H,3,10,12-13H2,(H,32,33)/t19?,21-,24-,25+,26-,28-/m0/s1 |
| InChIKey | NEWSNYYGVVOWJN-POTIOHBKSA-N |
| Literature Reference Author | Y.SHIOBARA,S.S.INOUE,Y.NISHIGUCHI,K.KATO,T.TAKEMOTO,N.NISHIM OTO,F.D.OLIVEIRA,G.A |
| Literature Reference Citation | PHYTOCHEM.,31,953(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80046-h |
| Molecular Weight | 558.539 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN4979 |