A-Norpregn-3(5)-ene-3,20-dione
Basic information
- CAS
1232-76-4- Standard SMILES
CC(=O)C1CCC2C3CCC4=CC(=O)CC4(C)C3CCC12C- InChIKey
CQNNLXQECGKHEH-UHFFFAOYSA-N- Molecular formula
- C20H28O2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.20893013
Names & identifiers
- Preferred name
- A-Norpregn-3(5)-ene-3,20-dione
- IUPAC
- 6-acetyl-3a,5a-dimethyl-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e]inden-2-one
Names & synonyms
A-Norpregn-3(5)-ene-3,20-dioneNSC480156-Acetyl-3a,5a-dimethyl-3a,3b,4,5,5a,6,7,8,8a,8b,9,10-dodecahydrodicyclopenta[a,f]naphthalen-2(3H)-one
Database identifiers
- CAS
1232-76-4- PubChem CID
- 24038
- DTXSID
DTXSID70274756
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 574
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Compound notes
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