1-(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)-5-methylpyrimidine-2,4-dione
Basic information
- CAS
64226-66-0- Standard SMILES
CC(=O)C1CCC2C3CC=C4CC(n5cc(C)c(=O)[nH]c5=O)CCC4(C)C3CCC12C- InChIKey
VSINISWTQYNSMX-UHFFFAOYSA-N- Molecular formula
- C26H36N2O3
- Average molar mass
- 424.6 g/mol
- Monoisotopic mass
- 424.27259301
Names & identifiers
- Preferred name
- 1-(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)-5-methylpyrimidine-2,4-dione
- IUPAC
- 1-(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)-5-methylpyrimidine-2,4-dione
Names & synonyms
NSC28182964226-66-0DTXSID70314287NSC281830NSC-281829NSC-2818305-Methyl-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
64226-66-0- PubChem CID
- 323082
- DTXSID
DTXSID70314287
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 904
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Compound notes
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