Basic information
- CAS
13209-45-5- Standard SMILES
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CCC2=O- InChIKey
GKSFRYHLOMZMFQ-QXUSFIETSA-N- Molecular formula
- C18H22O2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.16197994
Names & identifiers
- Preferred name
- Estra-4,6-diene-3,17-dione
- IUPAC
- (8R,9S,10R,13S,14S)-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
- English name
- 4,6-estradiene-3,17-dione
- Molecular formula
- C18H22O2
- Molecular weight
- 270.37
Names & synonyms
4,6-Estradiene-3,17-dione13209-45-5Estra-4,6-diene-3,17-dioneDTXSID20927528RefChem:96680DTXCID301356318(8R,9S,10R,13S,14S)-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione4,6-estradien-3,17-dioneGKSFRYHLOMZMFQ-QXUSFIETSA-NSCHEMBL1656805(8R,9S,10R,13S,14S)-13-methyl-1,2,8,9,10,11,12,14,15,16-deca6-Dehydro,19-Norandrostenedione
Database identifiers
- CAS
13209-45-5- PubChem CID
- 128845
- DTXSID
DTXSID20927528
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 542
Chemistry & industry
Applications
Uses4,6-Estradien-3,17-dione is an estrogenic non-aromatic steroid and are shown to exert the minor estrogenic effects required in males.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
Related reactions
14 records
Compound notes
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