AC1L4H75
methyl (1S,2S,4aS,10aR)-2-hydroxy-4a-methyl-7-prop-1-en-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
Also Known As: 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-2-hydroxy-1,4a-dimethyl-7-(1-methylethenyl)-, (1S,2S,4aS,10aR)-|methyl (1S,2S,4aS,10aR)-2-hydroxy-4a-methyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate|methyl (1S,2S,4aS,10aR)-2-hydroxy-4a-methyl-7-prop-1-en-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate|Methyl 2-hydroxy-4a-methyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.1882 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1882 |
| Monoisotopic Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 77091-10-2 |
|---|---|
| SMILES | CC(=C)C1=CC2=C(C=C1)[C@]3(CC[C@@H]([C@H]([C@H]3CC2)C(=O)OC)O)C |
| InChIKey | YJDCZKQMEXFAHI-DOADOZAASA-N |
Product Overview
AC1L4H75 (CAS 77091-10-2), with molecular formula C20H26O3 and molecular weight 314.1882 g/mol. IUPAC: methyl (1S,2S,4aS,10aR)-2-hydroxy-4a-methyl-7-prop-1-en-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate.