AC1L4KQT
methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
Also Known As: methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate|1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))-|METHYL (1R,3S,4AS,10AS)-8-CHLORO-3-HYDROXY-4A-METHYL-7-(PROPAN-2-YL)-1,2,3,4,4A,9,10,10A-OCTAHYDROPHENANTHRENE-1-CARBOXYLATE|Methyl 8-chloro-3-hydroxy-4a-methyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate|methyl(1r,3s,4as,10as)-8-chloro-3-hydroxy-4a-methyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
| Molecular Formula | C20H27ClO3 |
|---|---|
| Molecular Weight | 350.1649 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.1649 |
| Monoisotopic Mass | 350.1649 |
| Heavy Atoms | 24 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 83353-96-2 |
|---|---|
| SMILES | CC(C)C1=C(C2=C(C=C1)[C@]3(C[C@H](C[C@H]([C@@H]3CC2)C(=O)OC)O)C)Cl |
| InChIKey | BVQJBDMAKZBJGP-ODPGBAFUSA-N |
Product Overview
AC1L4KQT (CAS 83353-96-2), with molecular formula C20H27ClO3 and molecular weight 350.1649 g/mol. IUPAC: methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate.
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