5beta-Pregnane-11beta,21-diol-3,20-dione
Basic information
- CAS
566-01-8- Standard SMILES
CC12CC(O)C3C(CCC4CC(=O)CCC43C)C1CCC2C(=O)CO- InChIKey
CTTOFMJLOGMZRN-UHFFFAOYSA-N- Molecular formula
- C21H32O4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.2300595
Names & identifiers
- Preferred name
- 5beta-Pregnane-11beta,21-diol-3,20-dione
- IUPAC
- 11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
- English name
- 5β-Pregnane-11β,21-diol-3,20-dione
- Molecular formula
- C21H32O4
- Molecular weight
- 348.48
Names & synonyms
11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one5beta-Pregnane-11beta,21-diol-3,20-dionedihydrocorticosterone11,21-dihydroxypregnane-3,20-dioneDTXSID103315145|A-Pregnan-11|A,21-diol-3,20-dione5B-PREGNANE-11B,21-DIOL-3,20-DIONE5alpha-Dihydrocorticosterone 100ug/ml in Methanol5-ALPHA-PREGNAN-11-BETA, 21-DIOL-3,20-DIONE;5-ALPHA-DIHYDROCORTICOSTERONE;ALLODIHYDROCORTICOSTERONE;5A-pregnane-11B-21-diol-3-20-dione;5-dihydrocorticosterone5B-Dihydrocorticosterone5β-?Dihydrocorticosteron?e5β-Pregnane-11β,21-diol-3,20-dione
Show more names
5β-PREGNAN-11β, 21-DIOL-3, 20-DIONE11β,21-Dihydroxy-5β-pregnane-3,20-dione(5β,11β)-11,21-Dihydroxypregnane-3,20-dionePregnane-3,20-dione, 11,21-dihydroxy-, (5β,11β)-5β-Dihydrocorticosterone, 5β-Pregnane-11β,21-diol-3,20-dione(5R,8S,9S,10S,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Database identifiers
- CAS
566-01-8- PubChem CID
- 440696
- DTXSID
DTXSID10331514
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 586
Physicochemical properties
- Melting point
- 127 · 127 - 134°C
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Sparingly), Dichloromethane (Slightly)
- form
- Solid
- color
- White to Off-White
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
Uses5β-Dihydrocorticosterone was found in exudate of granuloma after corticosteroid intravenous administration.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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