2alpha-Methyl-5alpha-androstane-3,17-dione
Basic information
- CAS
5470-27-9- Standard SMILES
C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)CC1=O- InChIKey
RVSSFXUENQNQJK-ROGQGFJNSA-N- Molecular formula
- C20H30O2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2245802
Overview
2alpha-Methyl-5alpha-androstane-3,17-dione is a 3-oxo-5alpha-steroid.
Names & identifiers
- Preferred name
- 2alpha-Methyl-5alpha-androstane-3,17-dione
- IUPAC
- (2R,5S,8R,9S,10S,13S,14S)-2,10,13-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Names & synonyms
2alpha-Methyl-5alpha-androstane-3,17-dione5470-27-9SCHEMBL16407517CHEBI:79558NSC26260NSC-26260(2R,5S,8R,9S,10S,13S,14S)-2,10,13-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dioneQ27148671
Database identifiers
- CAS
5470-27-9- PubChem CID
- 230883
- ChEBI
CHEBI:79558- Nikkaji
- J2.791.762C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 524
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Related reactions
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Compound notes
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