Basic information
- CAS
87707-04-8- Standard SMILES
COC(=O)C(C)C1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC(=O)[C@]12C- InChIKey
KQZGJPPVCAJKCI-SQRZZTRLSA-N- Molecular formula
- C23H30O4
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.21440943
Names & identifiers
- Preferred name
- Methyl 3,12-dioxopregna-1,4-diene-20-carboxylate
- IUPAC
- methyl 2-[(8R,9S,10R,13S,14S)-10,13-dimethyl-3,12-dioxo-7,8,9,11,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propanoate
Names & synonyms
Methyl 3,12-dioxopregna-1,4-diene-20-carboxylate87707-04-8Pregna-1,4-diene-20-carboxylic acid, 3,12-dioxo-, methyl ester
Database identifiers
- CAS
87707-04-8- PubChem CID
- 174653
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 762
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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