Basic information
- Standard SMILES
C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(CC)[C@@]1(OC(C)=O)C(C)=O- InChIKey
YIAUAVGJQYAQFE-ZUYVPRDGSA-N- Molecular formula
- C24H32O4
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.2300595
Overview
structure in first source
Names & identifiers
- Preferred name
- 16-Methylene-17-hydroxy-18-methyl-19-norpregn-4-ene-3,20-dione acetate
- IUPAC
- [(8R,9S,10R,13S,14S,17R)-17-acetyl-13-ethyl-16-methylidene-3-oxo-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Names & synonyms
DTXSID90133636416-Methylene-17-hydroxy-18-methyl-19-norpregn-4-ene-3,20-dione acetate16-methylene-HMNEDAcRefChem:908219DTXCID801766558SCHEMBL6695423
Database identifiers
- PubChem CID
- 9908093
- DTXSID
DTXSID901336364- Nikkaji
- J1.277.139H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 777
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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