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17-Dehydroxy Prednisolone

CAT: 0572-TRC-D230025-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D230025-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13479-38-4
Synonyms
Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-, (11β)-; Pregna-1,4-diene-3,20-dione, 11β,21-dihydroxy- (7CI,8CI); (11β)-11,21-Dihydroxypregna-1,4-diene-3,20-dione; 1,2-Didehydrocorticosterone; 1-Dehydrocorticosterone; 11β,21-Dihydroxypregna-1,4-diene-3,20-dione; 17-Deoxyprednisolone; Δ1-Corticosterone
Hazard Statement
Suspected of damaging fertility or the unborn child
Purity
>95% (HPLC)
Smiles
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Molecular Formula
C21 H28 O4
Molecular Weight
344.44
InChI
InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
Additionnal Information
IUPAC name: (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-, (11beta)-
CAS Number13479-38-4
PubChem CID10472685
IUPAC Name(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H28O4
Molecular Weight344.4
XLogP2.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity677
SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)C=C[C@]34C)O
InChI
InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
InChIKey
ZFQSDPPADTWKDI-HJTSIMOOSA-N
Chemical Structure
2D Structure
2D structure of Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-, (11beta)-
CAS: 13479-38-4
CID: 10472685
Formula: C21H28O4
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass344.19875937
Monoisotopic Mass344.19875937
Topological Polar Surface Area74.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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