Basic information
- CAS
17300-11-7- Standard SMILES
CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
LTDMCKMWCXEYTN-NOYPWOGCSA-N- Molecular formula
- C22H34O2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.25588032
Names & identifiers
- Preferred name
- 16-Methylpregnane-3,20-dione
- IUPAC
- (5R,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-10,13,16-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
17300-11-7MLS00269404716-Methylpregnane-3,20-dioneNSC77894DTXSID90938267NSC-7789416alpha-Methyl-5beta-pregnane-3,20-dione
Database identifiers
- CAS
17300-11-7- PubChem CID
- 254118
- DTXSID
DTXSID90938267
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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