| SpectraBase Compound ID | CeG8g5IV5GX |
|---|---|
| InChI | InChI=1S/C27H30O3/c28-24-16-22(27(29)30)20-14-13-19-18(21-15-23(24)26(20)25(19)21)12-8-3-1-2-5-9-17-10-6-4-7-11-17/h1-2,4-7,9-11,13-14,16,18-21,23-26,28H,3,8,12,15H2,(H,29,30)/b2-1+,9-5+/t18-,19-,20+,21+,23+,24+,25-,26+/m1/s1 |
| InChIKey | YUFZJFBMKNIVGN-SQULQPEYSA-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 | 7G1znPyNSjQ |
|---|---|
| Name | BEILSCHMIEDIC_ACID_I |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O3 |
| InChI | InChI=1S/C27H30O3/c28-24-16-22(27(29)30)20-14-13-19-18(21-15-23(24)26(20)25(19)21)12-8-3-1-2-5-9-17-10-6-4-7-11-17/h1-2,4-7,9-11,13-14,16,18-21,23-26,28H,3,8,12,15H2,(H,29,30)/b2-1+,9-5+/t18-,19-,20+,21+,23+,24+,25-,26+/m1/s1 |
| InChIKey | YUFZJFBMKNIVGN-SQULQPEYSA-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 | 41271 |
| Solvent | CD3OD |