Propionic acid, 2-methyl-2-((17-oxo-1,3,5(10)-estratrien-3-yl)oxy)-
Basic information
- CAS
111825-43-5- Standard SMILES
CC(C)(Oc1ccc2c(c1)CCC1C2CC[C@]2(C)OCCC12)C(=O)O- InChIKey
OSSPFHPOWGXPTG-XPGIBRRYSA-N- Molecular formula
- C21H28O4
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.19875937
Names & identifiers
- Preferred name
- Propionic acid, 2-methyl-2-((17-oxo-1,3,5(10)-estratrien-3-yl)oxy)-
- IUPAC
- 2-[[(11aS)-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydro-2H-naphtho[2,1-e][1]benzofuran-7-yl]oxy]-2-methylpropanoic acid
Names & synonyms
BRN 31700202-Methyl-2-(17-oxo-1,3,5(10)-estratrien-3-yl)propionic acid1,3,5(10)Estratriene-17-one-3-oxo-alpha-isobutyric acid111825-43-54-08-00-01208 (Beilstein Handbook Reference)Acido 1,3,5(10)estratriene-17-on-3-osso-alpha-isobutirrico [Italian]Propionic acid, 2-methyl-2-((17-oxo-1,3,5(10)-estratrien-3-yl)oxy)-Acido 1,3,5(10)estratriene-17-on-3-osso-alpha-isobutirricoRefChem:375183DTXSID609205782-Methyl-2-[(11a-methyl-2,3,3a,3b,4,5,9b,10,11,11a-decahydrophenanthro[2,1-b]furan-7-yl)oxy]propanoic acid2-Methyl-2-{[(11aS)-11a-methyl-2,3,3a,3b,4,5,9b,10,11,11a-decahydrophenanthro[2,1-b]furan-7-yl]oxy}propanoic acid
Database identifiers
- CAS
111825-43-5- PubChem CID
- 3086732
- DTXSID
DTXSID60920578
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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