Basic information
- CAS
69636-79-9- Standard SMILES
CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C(=O)Cn1c(=O)cc[nH]c1=O- InChIKey
ALHWWXWOGCHSJW-UHFFFAOYSA-N- Molecular formula
- C25H32N2O5
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.23112213
Names & identifiers
- Preferred name
- 3-[2-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
- IUPAC
- 3-[2-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
Names & synonyms
NSC28184369636-79-9DTXSID00314295NSC-28184321-(2,6-Dioxo-3,6-dihydropyrimidin-1(2H)-yl)-17-hydroxypregn-4-ene-3,20-dione
Database identifiers
- CAS
69636-79-9- PubChem CID
- 323095
- DTXSID
DTXSID00314295
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 969
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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