Basic information
- CAS
86547-17-3- Standard SMILES
COC(=O)C1(C)CC(=O)CC2(C)c3cc(Cl)c(C(C)COC(C)=O)c(Cl)c3CCC12- InChIKey
NPJYTDILUPLAIN-UHFFFAOYSA-N- Molecular formula
- C23H28Cl2O5
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 454.1313794
Names & identifiers
- Preferred name
- 1-Phenanthrenecarboxylic acid, 7-(2-(acetyloxy)-1-methylethyl)-6,8-dichloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-3-oxo-, methyl ester
- IUPAC
- methyl 7-(1-acetyloxypropan-2-yl)-6,8-dichloro-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
Names & synonyms
DTXSID901006907Methyl 16-(acetyloxy)-12,14-dichloro-2-oxoabieta-8(14),9(11),12-trien-18-oate1-Phenanthrenecarboxylic acid, 7-(2-(acetyloxy)-1-methylethyl)-6,8-dichloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-3-oxo-, methyl ester
Database identifiers
- CAS
86547-17-3- PubChem CID
- 186355
- DTXSID
DTXSID901006907
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 712
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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