Methyl (R)-4-((5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Basic information
- CAS
28057-90-1- Standard SMILES
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C- InChIKey
VCWDOHJFKGOMRJ-KTVNVDRLSA-N- Molecular formula
- C25H38O4
- Average molar mass
- 402.6 g/mol
- Monoisotopic mass
- 402.27700969
Names & identifiers
- Preferred name
- Methyl (R)-4-((5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
- IUPAC
- methyl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Names & synonyms
28057-90-1NSC60788SCHEMBL330090NSC-60788Methyl (R)-4-((5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Database identifiers
- CAS
28057-90-1- PubChem CID
- 247016
- Nikkaji
- J596.081I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 699
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Related reactions
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Compound notes
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