| SpectraBase Compound ID | 6tlxGZqzRxx |
|---|---|
| InChI | InChI=1S/C20H31ClO7/c1-12(2)5-6-14-19(3,28-14)18-17(26-4)13(9-10-20(18,25)11-21)27-16(24)8-7-15(22)23/h5,13-14,17-18,25H,6-11H2,1-4H3,(H,22,23)/t13-,14-,17-,18-,19+,20-/m1/s1 |
| InChIKey | FKTJAQKUCINAIF-FIXWDHIASA-N |
| Mol Weight | 418.91 g/mol |
| Molecular Formula | C20H31ClO7 |
| Exact Mass | 418.175831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LBMGSrrGhMT |
|---|---|
| Name | LIGERIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H31ClO7 |
| InChI | InChI=1S/C20H31ClO7/c1-12(2)5-6-14-19(3,28-14)18-17(26-4)13(9-10-20(18,25)11-21)27-16(24)8-7-15(22)23/h5,13-14,17-18,25H,6-11H2,1-4H3,(H,22,23)/t13-,14-,17-,18-,19+,20-/m1/s1 |
| InChIKey | FKTJAQKUCINAIF-FIXWDHIASA-N |
| Literature Reference Author | M.VANSTEELANDT,E.BLANCHET,M.EGOROV,F.PETIT,L.TOUPET,A.BONDON ,F.MONTENAU,B.LEBIZE |
| Literature Reference Citation | J.NAT.PROD.,76,297(2013) |
| Literature Reference DOI | 10.1021/np3007364 |
| Molecular Weight | 418.915 g/mol |
| Sample ID | 42244 |
| Solvent | CDCl3 |