1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester
Basic information
- CAS
28625-40-3- Standard SMILES
COC(=O)C1(C)CCCC2(C)c3cc(C(C)=O)c(C(C)C)cc3CCC12- InChIKey
HFNSWUWOTLFFOE-UHFFFAOYSA-N- Molecular formula
- C23H32O3
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.23514488
Names & identifiers
- Preferred name
- 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester
- IUPAC
- methyl 6-acetyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Names & synonyms
NSC 1462031-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester28625-40-3NSC146203SCHEMBL14299764methyl 6-acetyl-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Database identifiers
- CAS
28625-40-3- PubChem CID
- 461841
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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