1alpha-Hydroxycorticosterone
Basic information
- CAS
10163-49-2- Standard SMILES
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C[C@H](O)[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO- InChIKey
YAHNLJYKDPTSTN-SRVFFJGNSA-N- Molecular formula
- C21H30O5
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.20932405
Names & identifiers
- Preferred name
- 1alpha-Hydroxycorticosterone
- IUPAC
- (1S,8S,9S,10R,11S,13S,14S,17S)-1,11-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 1alpha-Hydroxycorticosterone
- Molecular formula
- C21H30O5
- Molecular weight
- 362.46
Names & synonyms
1alpha-Hydroxycorticosterone10163-49-21alpha,11beta,21-Trihydroxypregn-4-ene-3,20-dioneSCHEMBL1250822DTXSID709064091,11,21-trihydroxypregn-4-ene-3,20-dione1α-Hydroxycorticosterone4-PREGNEN-1α, 11β, 21-TRIOL-3, 20-DIONEPregn-4-ene-3,20-dione, 1,11,21-trihydroxy-, (1α,11β)-
Database identifiers
- CAS
10163-49-2- PubChem CID
- 189013
- DTXSID
DTXSID70906409- Nikkaji
- J2.853.845F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 669
Physicochemical properties
- Boiling point
- 573.1 · 573.1±50.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 12.98 · 12.98±0.10(Predicted)
Chemistry & industry
Applications
Description1α-hydroxycorticosterone is a physiologically important corticosteroid synthesized only in elasmobranchs. 1α- hydroxycorticosterone is synthesized in the interrenal gland in copious amounts relative to other endogenous steroids. The 1α-hydroxylation of corticosterone has been detected in the steroidogenic tissues of the elasmobranch, but the underlying gene has not been identified.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…