Basic information
- CAS
56784-28-2- Standard SMILES
CCCCCC(=O)O[C@]1(C(C)=O)[C@H](C)C[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
MNGVSHXDYTVUIE-WAZLPPBGSA-N- Molecular formula
- C29H44O4
- Average molar mass
- 456.7 g/mol
Names & identifiers
- Preferred name
- [(6S,8R,9S,10R,13S,14S,16R,17R)-17-acetyl-6,10,13,16-tetramethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate
- IUPAC
- [(6S,8R,9S,10R,13S,14S,16R,17R)-17-acetyl-6,10,13,16-tetramethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate
- English name
- 6α,16α-Dimethyl-17-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione
- Molecular formula
- C29H44O4
- Molecular weight
- 456.66
Names & synonyms
6α,16α-Dimethyl-17-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, 6,16-dimethyl-17-[(1-oxohexyl)oxy]-, (6α,16α)- (9CI)
Database identifiers
- CAS
56784-28-2- Nikkaji
- J129.736H
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 858
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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