17-Methoxymethyl trienolone
Basic information
- CAS
15384-90-4- Standard SMILES
COCOC1CCC2C3CCC4=CC(=O)CCC4=C3C=CC12C- InChIKey
PEIDRQFNXDVMTA-UHFFFAOYSA-N- Molecular formula
- C20H26O3
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.18819469
Names & identifiers
- Preferred name
- 17-Methoxymethyl trienolone
- IUPAC
- 17-(methoxymethoxy)-13-methyl-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
17-Methoxymethyl trienoloneMLS00270392415384-90-417-(methoxymethoxy)estra-4,9,11-trien-3-oneNSC106551CHEMBL1735497DTXSID40934855NSC-106551SMR001570636
Database identifiers
- CAS
15384-90-4- PubChem CID
- 267358
- DTXSID
DTXSID40934855- ChEMBL
CHEMBL1735497
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 612
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Compound notes
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