2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-(3-methyl-3,4-dihydro-2H-pyrrol-5-yl)propan-1-one
Basic information
- CAS
986-45-8- Standard SMILES
CC1CN=C(C(=O)C(C)C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)C1- InChIKey
HIBLNBRXFIYJIP-UHFFFAOYSA-N- Molecular formula
- C27H41NO2
- Average molar mass
- 411.6 g/mol
- Monoisotopic mass
- 411.31372955
Names & identifiers
- Preferred name
- 2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-(3-methyl-3,4-dihydro-2H-pyrrol-5-yl)propan-1-one
- IUPAC
- 2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-(3-methyl-3,4-dihydro-2H-pyrrol-5-yl)propan-1-one
Names & synonyms
NSC807732-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-(3-methyl-3,4-dihydro-2H-pyrrol-5-yl)propan-1-oneHIBLNBRXFIYJIP-UHFFFAOYSA-NNSC-80773Pregn-5-en-21-one, 21-(4,5-dihydro-4-methyl-3H-pyrrol-2-yl)-3-hydroxy-20-methyl-, (3.beta.,20S,21(R))-Pregn-5-en-21-one,5-dihydro-4-methyl-3H-pyrrol-2-yl)-3-hydroxy-20-methyl-, [3.beta.,20S,21(R)]-
Database identifiers
- CAS
986-45-8- PubChem CID
- 255353
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 784
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Compound notes
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