| SpectraBase Compound ID | Lszj11OEYKy |
|---|---|
| InChI | InChI=1S/C27H30O3/c28-19(9-5-4-8-17-6-2-1-3-7-17)11-13-20-21-14-15-22-23(27(29)30)12-10-18-16-24(20)26(21)25(18)22/h1-9,12,14-15,18-22,24-26,28H,10-11,13,16H2,(H,29,30)/b8-4+,9-5+/t18-,19?,20-,21-,22+,24+,25-,26-/m1/s1 |
| InChIKey | ROFUKMLUAVIQAH-CESSDLTHSA-N |
| Mol Weight | 402.53 g/mol |
| Molecular Formula | C27H30O3 |
| Exact Mass | 402.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DCtQagFjLHQ |
|---|---|
| Name | BEILSCHMIEDIC_ACID_J |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O3 |
| InChI | InChI=1S/C27H30O3/c28-19(9-5-4-8-17-6-2-1-3-7-17)11-13-20-21-14-15-22-23(27(29)30)12-10-18-16-24(20)26(21)25(18)22/h1-9,12,14-15,18-22,24-26,28H,10-11,13,16H2,(H,29,30)/b8-4+,9-5+/t18-,19?,20-,21-,22+,24+,25-,26-/m1/s1 |
| InChIKey | ROFUKMLUAVIQAH-CESSDLTHSA-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 | 402.533 g/mol |
| Sample ID | 41272 |
| Solvent | CD3OD |