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Aldosterone

CAT: 0926-FA17269-04Size: 0.1 gDry Ice: NoHazardous: No
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CAT#:0926-FA17269-04Size:0.1 g
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CAS Number
52-39-1
Synonyms
(11b) -11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al;11b,21-Dihydroxypregn-4-ene-3,18,20-trione;18-Formyl-11b,21-dihydroxy-4-pregnene-3, 20-dione
MDL Number
MFCD00051136
Smiles
C (=O) [C@@]12[C@] ([C@]3 ([C@] ([C@@H] (O) C1) ([C@]4 (C) C (CC3) =CC (=O) CC4) [H]) [H]) (CC[C@@H]2C (CO) =O) [H]
Molecular Formula
C21H28O5
Molecular Weight
360.44 g/mol
Controlled
No

Chemical Information

Aldosterone

Aldosterone is a pregnane-based steroidal hormone produced by the outer-section (zona glomerulosa) of the adrenal cortex in the adrenal gland, and acts on the distal tubules and collecting ducts of the kidney to cause the conservation of sodium, secretion of potassium, increased water retention, and increased blood pressure. The overall effect of aldosterone is to increase reabsorption of ions and water in the kidney. It has a role as a mouse metabolite and a human metabolite. It is a steroid aldehyde, a primary alpha-hydroxy ketone, a mineralocorticoid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a 18-oxo steroid, a 3-oxo-Delta(4) steroid and a C21-steroid hormone. It derives from a hydride of a pregnane.

CAS Number52-39-1
PubChem CID5839
IUPAC Name(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
Molecular FormulaC21H28O5
Molecular Weight360.4
XLogP1.1
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity682
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O
InChI
InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
InChIKey
PQSUYGKTWSAVDQ-ZVIOFETBSA-N
Chemical Structure
2D Structure
2D structure of Aldosterone
CAS: 52-39-1
CID: 5839
Formula: C21H28O5
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass360.19367399
Monoisotopic Mass360.19367399
Topological Polar Surface Area91.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity682
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

Alternative Products

CatalogName
GWB-7B83DDALDOSTERONE

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