Basic information
- CAS
1670-49-1- Standard SMILES
COc1ccc2c(c1)CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
AGAVSENPCRLEAB-AOIWGVFYSA-N- Molecular formula
- C19H22O2
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.16197994
Names & identifiers
- Preferred name
- 3-Methoxyestra-1,3,5(10),9(11)-tetraen-17-one
- IUPAC
- (8S,13S,14S)-3-methoxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
- English name
- 3-Methoxy-1,3,5(10),9(11)-estratetren-17-one
- Molecular formula
- C19H22O2
- Molecular weight
- 282.38
Names & synonyms
1670-49-13-Methoxyestra-1,3,5(10),9(11)-tetraen-17-oneRefChem:280513Estra-1,3,5(10),9(11)-tetraen-17-one, 3-methoxy-9,11-Didehydroestrone 3-methyl etherSCHEMBL11437472DTXSID201252090(8S,13S,14S)-3-methoxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one.delta.9,11-1-Methylestrone 3-methyl ether3-Methoxyestra-1(10),2,4,9(11)-tetraen-17-one3-Methoxyestra-1,3,5(10),9(11)-tetraen-17-one #(+)-3-Methoxyestra-1,3,5(10),9(11)-tetraen-17-one
Show more names
3-Methoxy-1,3,5(10),9(11)-estratetren-17-one
3-methoxy-13beta-methylgona-1,3,5(10), 9(11)-tetraen-17-one3-methoxy-13beta-methylgona-1,3,5(10),9(11)-tetraen- 17-one
Database identifiers
- CAS
1670-49-1
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 480
Related reactions
2 records
Compound notes
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