| SpectraBase Compound ID | AGwj6ektOtH |
|---|---|
| InChI | InChI=1S/C27H30O5/c28-23-14-21(27(29)30)19-11-10-18-17(20-13-22(23)26(19)25(18)20)8-4-7-16-9-12-24(32-31-16)15-5-2-1-3-6-15/h1-3,5-6,9-12,14,16-20,22-26,28H,4,7-8,13H2,(H,29,30)/t16?,17-,18-,19+,20+,22+,23-,24?,25-,26+/m1/s1 |
| InChIKey | JRFQTWCRCSYLPZ-ZACHTPDQSA-N |
| Mol Weight | 434.53 g/mol |
| Molecular Formula | C27H30O5 |
| Exact Mass | 434.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | PaRiHwWW7R |
|---|---|
| Name | BEILSCHMIEDIC_ACID_N |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O5 |
| InChI | InChI=1S/C27H30O5/c28-23-14-21(27(29)30)19-11-10-18-17(20-13-22(23)26(19)25(18)20)8-4-7-16-9-12-24(32-31-16)15-5-2-1-3-6-15/h1-3,5-6,9-12,14,16-20,22-26,28H,4,7-8,13H2,(H,29,30)/t16?,17-,18-,19+,20+,22+,23-,24?,25-,26+/m1/s1 |
| InChIKey | JRFQTWCRCSYLPZ-ZACHTPDQSA-N |
| Literature Reference Author | R.B.WILLIAMS,S.M.MARTIN,J.F.HU,V.L.NORMAN,M.G.GOERING,S.LOSS ,M.ONEIL-JOHNSON,G.R |
| Literature Reference Citation | J.NAT.PROD.,75,1319(2012) |
| Literature Reference DOI | 10.1021/np300241d |
| Molecular Weight | 434.532 g/mol |
| Sample ID | 41276 |
| Solvent | CD3OD |