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11-Deoxy Corticosterone

CAT: 0572-TRC-D232590-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D232590-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64-85-7
Synonyms
Pregn-4-ene-3,20-dione, 21-hydroxy-; 11-Deoxycorticosterone (8CI); 11-Dehydroxycorticosterone; 11-Desoxycorticosterone; 21-Hydroxy-3,20-dioxopregn-4-ene; 21-Hydroxy-Δ4-pregnane-3,20-dione; 21-Hydroxy-Δ4-pregnene-3,20-dione; 21-Hydroxypregn-4-ene-3,20-dione; 21-Hydroxyprogesterone; 4-Pregnen-21-ol-3,20-dione; Cortexone; Corticosterone, 11-deoxy-; DOC; DOC (steroid); Deoxycorticosterone; Deoxycortone; Desoxycorticosterone; Desoxycortone; Kendall's desoxy compound B; NSC 11319; Reichstein's substance Q; Δ4-Pregnene-21-ol-3,20-dione
Hazard Statement
Suspected of causing cancer
Purity
>95% (HPLC)
Smiles
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Molecular Formula
C21 H30 O3
Molecular Weight
330.46
InChI
InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
Additionnal Information
IUPAC name: (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Deoxycorticosterone

11-deoxycorticosterone is a mineralocorticoid that is progesterone substituted at position 21 by a hydroxy group. It has a role as a mouse metabolite and a human metabolite. It is a primary alpha-hydroxy ketone, a mineralocorticoid, a 21-hydroxy steroid, a 20-oxo steroid and a 3-oxo-Delta(4) steroid. It is functionally related to a progesterone.

CAS Number64-85-7
PubChem CID6166
IUPAC Name(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H30O3
Molecular Weight330.5
XLogP2.9
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity606
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C
InChI
InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
InChIKey
ZESRJSPZRDMNHY-YFWFAHHUSA-N
Chemical Structure
2D Structure
2D structure of Deoxycorticosterone
CAS: 64-85-7
CID: 6166
Formula: C21H30O3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass330.21949481
Monoisotopic Mass330.21949481
Topological Polar Surface Area54.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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