| SpectraBase Compound ID | 2rc9SwUZ2In |
|---|---|
| InChI | InChI=1S/C16H22Cl2O3/c1-5-16(4,18)14(17)9-7-11(2)6-8-13(19)12(3)10-15(20)21/h5-7,9,13-14,19H,1,3,8,10H2,2,4H3,(H,20,21)/b9-7+,11-6+/t13-,14+,16-/m1/s1 |
| InChIKey | CYRVLPXRQULBHZ-WHGSSFCCSA-N |
| Mol Weight | 333.26 g/mol |
| Molecular Formula | C16H22Cl2O3 |
| Exact Mass | 332.0946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Zy5slSYuic |
|---|---|
| Name | ACID-D;(6E,8E,12E)-3-METHYLENE-(4R)-HYDROXY-7,11-DIMETHYL-(10S*,11R*)-DICHLORO-TRIDECA-6,8,12-TRIENOIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H22Cl2O3 |
| InChI | InChI=1S/C16H22Cl2O3/c1-5-16(4,18)14(17)9-7-11(2)6-8-13(19)12(3)10-15(20)21/h5-7,9,13-14,19H,1,3,8,10H2,2,4H3,(H,20,21)/b9-7+,11-6+/t13-,14+,16-/m1/s1 |
| InChIKey | CYRVLPXRQULBHZ-WHGSSFCCSA-N |
| Literature Reference Author | T.REZANKA,V.M.DEMBITSKY |
| Literature Reference Citation | PHYTOCHEM.,57,607(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00086-3 |
| Molecular Weight | 333.255 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN2320 |