Basic information
- CAS
4146-29-6- Standard SMILES
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O- InChIKey
JBXQPIRHIYLCNL-RYJUIXMKSA-N- Molecular formula
- C18H26O3
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.18819469
Names & identifiers
- Preferred name
- (6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
- IUPAC
- (6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
- English name
- 4-Estren-6beta,17beta-diol-3-one
- Molecular formula
- C18H26O3
- Molecular weight
- 0
Names & synonyms
4146-29-64-Estren-6beta,17beta-diol-3-oneNSC9718SCHEMBL17209920DTXSID009617236,17-dihydroxyestr-4-en-3-oneNSC-97186beta,17beta-Dihydroxyestr-4-en-3-one6β-Hydroxynandrolone4-ESTREN-6β, 17β-DIOL-3-ONE6β-Hydroxy-19-Nortestosterone
Database identifiers
- CAS
4146-29-6- PubChem CID
- 222791
- DTXSID
DTXSID00961723- Nikkaji
- J2.163.457C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 497
Chemistry & industry
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
0 records
No reaction records under the current filter.
Compound notes
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