Basic information
- CAS
10506-73-7- Standard SMILES
C=C1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O- InChIKey
DQCXOXIHZXIICM-VXNCWWDNSA-N- Molecular formula
- C19H22O2
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.16197994
Overview
20 alpha-hydroxysteroid dehydrogenase inactivator
Names & identifiers
- Preferred name
- 16-Methylene estrone
- IUPAC
- (8R,9S,13S,14S)-3-hydroxy-13-methyl-16-methylidene-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
- English name
- 16-methylene estrone
- Molecular formula
- C19H22O2
- Molecular weight
- 282.38
Names & synonyms
16-Methylene estrone16-Methylene-estrone10506-73-73-Hydroxy-16-methyleneestra-1,3,5(10)-triene-17-oneEstra-1,3,5(10)-trien-17-one, 3-hydroxy-16-methylene-RefChem:79036SCHEMBL1978859CHEMBL1628022DTXSID909093163-Hydroxy-16-methylideneestra-1(10),2,4-trien-17-one
Database identifiers
- CAS
10506-73-7- PubChem CID
- 189014
- DTXSID
DTXSID90909316- ChEMBL
CHEMBL1628022
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Boiling point
- 463 · 463.0±45.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 10.24 · 10.24±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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