3-Hydroxy-13-methyl-16-pyridin-3-ylmethylene-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one

HCID 67349697
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Basic information

Standard SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CC(=Cc1cccnc1)C2=O
InChIKey
IOZNEDSKGYWSRO-UHFFFAOYSA-N
Molecular formula
C24H25NO2
Average molar mass
359.5 g/mol

Names & identifiers

Preferred name
3-Hydroxy-13-methyl-16-pyridin-3-ylmethylene-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one
IUPAC
3-hydroxy-13-methyl-16-(pyridin-3-ylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one

Names & synonyms

SCHEMBL2287780IOZNEDSKGYWSRO-UHFFFAOYSA-N3-Hydroxy-13-methyl-16-pyridin-3-ylmethylene-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one

Database identifiers

PubChem CID
67349697

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
50.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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