AC1L4III
methyl 3-acetyloxy-7-(1-acetyloxy-2-hydroxypropan-2-yl)-8-chloro-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Also Known As: 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester|Methyl 2,16-bis(acetyloxy)-14-chloro-15-hydroxyabieta-8,11,13-trien-18-oate|methyl 3-acetyloxy-7-(1-acetyloxy-2-hydroxypropan-2-yl)-8-chloro-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
| Molecular Formula | C25H33ClO7 |
|---|---|
| Molecular Weight | 480.19147 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.19147 |
| Monoisotopic Mass | 480.19147 |
| Heavy Atoms | 33 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 83354-01-2 |
|---|---|
| SMILES | CC(=O)OCC(C)(C1=C(C2=C(C=C1)C3(CC(CC(C3CC2)(C)C(=O)OC)OC(=O)C)C)Cl)O |
| InChIKey | PRIWDSHEHYJLJD-UHFFFAOYSA-N |
Product Overview
AC1L4III (CAS 83354-01-2), with molecular formula C25H33ClO7 and molecular weight 480.19147 g/mol. IUPAC: methyl 3-acetyloxy-7-(1-acetyloxy-2-hydroxypropan-2-yl)-8-chloro-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate.
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