| SpectraBase Compound ID | 5xAhY6oIOAW |
|---|---|
| InChI | InChI=1S/C22H20O5/c23-17-8-15(22(24)25)12-3-2-11-13(14-7-16(17)21(12)20(11)14)5-10-1-4-18-19(6-10)27-9-26-18/h1-4,6,8,11-14,16,20-21H,5,7,9H2,(H,24,25)/t11-,12+,13-,14+,16+,20-,21+/m1/s1 |
| InChIKey | WIFSTHBLXUMVNG-OQBXOKOHSA-N |
| Mol Weight | 364.4 g/mol |
| Molecular Formula | C22H20O5 |
| Exact Mass | 364.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LP5RNmdNS23 |
|---|---|
| Name | CRYPTOBEILIC_ACID_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H20O5 |
| InChI | InChI=1S/C22H20O5/c23-17-8-15(22(24)25)12-3-2-11-13(14-7-16(17)21(12)20(11)14)5-10-1-4-18-19(6-10)27-9-26-18/h1-4,6,8,11-14,16,20-21H,5,7,9H2,(H,24,25)/t11-,12+,13-,14+,16+,20-,21+/m1/s1 |
| InChIKey | WIFSTHBLXUMVNG-OQBXOKOHSA-N |
| Literature Reference Author | F.M.TALONTSI,L.LAMSHOEFT,J.O.BAUER,A.A.RAZAKARIVONY,B.ANDRIA MIHAJA,C.STROHMANN,M |
| Literature Reference Citation | J.NAT.PROD.,76,97(2013) |
| Literature Reference DOI | 10.1021/np300773x |
| Molecular Weight | 364.398 g/mol |
| Sample ID | 42136 |
| Solvent | CDCl3 |