AC1L4KQW
methyl (1R,3R,4aS,10aR)-8-chloro-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Also Known As: Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate|1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,3alpha,4abeta,10aalpha))-|Methyl 14-chloro-2alpha-hydroxyabieta-8,11,13-trien-18-oate|methyl (1R,3R,4aS,10aR)-8-chloro-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
| Molecular Formula | C21H29ClO3 |
|---|---|
| Molecular Weight | 364.1805 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.1805 |
| Monoisotopic Mass | 364.1805 |
| Heavy Atoms | 25 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 83353-97-3 |
|---|---|
| SMILES | CC(C)C1=C(C2=C(C=C1)[C@]3(C[C@H](C[C@@]([C@@H]3CC2)(C)C(=O)OC)O)C)Cl |
| InChIKey | OCIGNQIZVJGTBR-HYPSKJLKSA-N |
Product Overview
AC1L4KQW (CAS 83353-97-3), with molecular formula C21H29ClO3 and molecular weight 364.1805 g/mol. IUPAC: methyl (1R,3R,4aS,10aR)-8-chloro-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate.
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