17-Methyl-18,19-dinorpregna-4,13-dien-3-one,(17alpha)-
Basic information
- CAS
153-15-1- Standard SMILES
CC[C@]1(C)CCC2=C1CC[C@@H]1[C@H]3CCC(=O)C=C3CC[C@@H]21- InChIKey
HYLSPEVBFQROOR-TVKQPGBESA-N- Molecular formula
- C20H28O
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.21401551
Overview
17-Methyl-18,19-dinor-17alpha-pregna-4,13-dien-3-one is an oxo steroid.
Names & identifiers
- Preferred name
- 17-Methyl-18,19-dinorpregna-4,13-dien-3-one,(17alpha)-
- IUPAC
- (8R,9R,10R,17R)-17-ethyl-17-methyl-2,6,7,8,9,10,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
153-15-1UNII-U455MG84J517-Methyl-18,19-dinorpregna-4,13-dien-3-one,(17alpha)-U455MG84J5NSC 66591NSC-66591CHEBI:7968817-Methyl-18,19-dinor-17alpha-pregna-4,13-dien-3-oneDTXSID90934643NSC66591(8R,9R,10R,17R)-17-ethyl-17-methyl-2,6,7,8,9,10,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one17-Ethyl-17-methylgona-4,13-dien-3-one
Show more names
17alpha-Ethyl-17beta-methylgona-4,13-dien-3-oneQ2714881717-METHYL-18,19-DINORPREGNA-4,13-DIEN-3-ONE,(17.ALPHA.)-18,19-DINOR-17.ALPHA.-PREGNA-4,13-DIEN-3-ONE, 17-METHYL-18,19-DINORPREGNA-4,13-DIEN-3-ONE, 17-METHYL-, (17.ALPHA.)-
Database identifiers
- CAS
153-15-1- PubChem CID
- 248932
- DTXSID
DTXSID90934643- ChEBI
CHEBI:79688- UNII
- U455MG84J5
- Nikkaji
- J2.793.230D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…