Basic information
- Standard SMILES
CCC[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OCOC)C[C@H](C)[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
RJGLTECYGPXBRW-NMJKGRKMSA-N- Molecular formula
- C27H46O4
- Average molar mass
- 434.7 g/mol
Names & identifiers
- Preferred name
- 17beta-Acetoxy-3beta-methoxymethoxy-1alpha-methyl-17alpha-n-propyl-5alpha-androstane
- IUPAC
- [(1S,3S,5S,8R,9S,10S,13S,14S,17S)-3-(methoxymethoxy)-1,10,13-trimethyl-17-propyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
Names & synonyms
SCHEMBL10407988RJGLTECYGPXBRW-NMJKGRKMSA-N17beta-acetoxy-3beta-methoxymethoxy-1alpha-methyl-17alpha-n-propyl-5alpha-androstane
Database identifiers
- PubChem CID
- 70360248
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 664
Related reactions
3 records
Compound notes
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