Basic information
- Standard SMILES
C[C@@]12C=CC=C1C1=CCC3CCCC[C@@H]3[C@H]1CC2- InChIKey
BUIVJNVIIAIIFZ-MUSFGAPCSA-N- Molecular formula
- C18H24
- Average molar mass
- 240.4 g/mol
Names & identifiers
- Preferred name
- Estratrien
- IUPAC
- (9R,10S,13R)-13-methyl-1,2,3,4,5,6,9,10,11,12-decahydrocyclopenta[a]phenanthrene
Names & synonyms
estratrienSCHEMBL29376327BUIVJNVIIAIIFZ-MUSFGAPCSA-N
Database identifiers
- PubChem CID
- 69044490
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 451
Related reactions
2 records
Compound notes
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