14-Chlorodehydroabietic acid
(1R,4aS,10aR)-8-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Also Known As: 14-Chlorodehydroabietic acid|14-chloroabieta-8,11,13-trien-18-oic acid|(1R,4aS,10aR)-8-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid|14-Chloroabieta-8(14),9(11),12-trien-18-oic acid|1,4,6,10,12,15,16,19-Octaoxatrispiro(4.2.2.4.2.2)nonadecane|1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-|1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,4abeta,10aalpha))-|8-Chloro-1,4a-dimethyl-7-(1-methylethyl)-1R,2,3,4,4aS,9,10,10aR-octahydro-1-phenanthrenecarboxylic acid|(1R,4aS)-8-Chloro-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid|(1R,4AS,10AR)-8-CHLORO-1,4A-DIMETHYL-7-(PROPAN-2-YL)-1,2,3,4,4A,9,10,10A-OCTAHYDROPHENANTHRENE-1-CARBOXYLIC ACID|(1R,4aS,10aR)-8-Chloro-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic Acid|(1R,4aS,10aR)-8-Chloro-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic Acid;
| Molecular Formula | C20H27ClO2 |
|---|---|
| Molecular Weight | 334.16995 g/mol |
| LogP | 5.56 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.16995 |
| Heavy Atoms | 23 |
| Complexity | 651.3 |
Chemical Identifiers
| CAS Number | 65281-76-7 |
|---|---|
| SMILES | CC(C)C1=C(C2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)O)C)Cl |
Product Overview
14-Chlorodehydroabietic acid (CAS 65281-76-7), with molecular formula C20H27ClO2 and molecular weight 334.16995 g/mol. IUPAC: (1R,4aS,10aR)-8-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid.
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