Aldosterone

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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

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 Number	52-39-1
PubChem CID	5839
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 Formula	C21H28O5
Molecular Weight	360.4
XLogP	1.1
Topological Polar Surface Area	91.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	682

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

CAS: 52-39-1

CID: 5839

Formula: C21H28O5

MW: 360.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	360.4
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	360.19367399
Monoisotopic Mass	360.19367399
Topological Polar Surface Area	91.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	682
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GWB-7B83DD	ALDOSTERONE

Aldosterone

Chemical Information

Alternative Products

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