Basic information
- Standard SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O.C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O- InChIKey
ATRFCDXNMVYMQQ-ZUOSCVQVSA-N- Molecular formula
- C38H54O4
- Average molar mass
- 574.8 g/mol
Names & identifiers
- Preferred name
- Estradiol methyltestosterone
- IUPAC
- (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
estradiol methyltestosteroneSCHEMBL9393973ATRFCDXNMVYMQQ-ZUOSCVQVSA-N
Database identifiers
- PubChem CID
- 9829635
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 932
Related reactions
1 records
Compound notes
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