| SpectraBase Compound ID | 8pl0YdYX6vi |
|---|---|
| InChI | InChI=1S/C16H21BrCl2O3/c1-11(4-6-13(20)12(2)10-15(21)22)5-7-14(18)16(3,19)8-9-17/h4-5,7-9,13-14,20H,2,6,10H2,1,3H3,(H,21,22)/b7-5+,9-8+,11-4+/t13-,14-,16-/m1/s1 |
| InChIKey | DATQSAPMCPQONA-HYJHZUOBSA-N |
| Mol Weight | 412.15 g/mol |
| Molecular Formula | C16H21BrCl2O3 |
| Exact Mass | 410.005113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gtcw72rsI5s |
|---|---|
| Name | ACID-C;(6E,8E,12E)-3-METHYLENE-(4R)-HYDROXY-7,11-DIMETHYL-(10R*,11R*)-DICHLORO-13-BROMO-TRIDECA-6,8,12-TRIENOIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H21BrCl2O3 |
| InChI | InChI=1S/C16H21BrCl2O3/c1-11(4-6-13(20)12(2)10-15(21)22)5-7-14(18)16(3,19)8-9-17/h4-5,7-9,13-14,20H,2,6,10H2,1,3H3,(H,21,22)/b7-5+,9-8+,11-4+/t13-,14-,16-/m1/s1 |
| InChIKey | DATQSAPMCPQONA-HYJHZUOBSA-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 | 412.151 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN2319 |