Aldosterone

CAS 52-39-1  ·  C21H28O5  ·  MW 360.4 g/mol

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3D model Aldosterone, CAS 52-39-1, molecular formula C21H28O5, molar mass 360.4 g/mol
About Aldosterone

Aldosterone is a chemical compound registered under number CAS 52-39-1, with the molecular formula C21H28O5, and a molar mass of 360.4 g/mol.

The molecule contains 54 atoms connected by 57 chemical bonds. The full systematic IUPAC name of this compound is (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. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.1 (positive value, a lipophilic compound), polar surface area PSA = 91.7 Ų, 2 donors and 5 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC21H28O5
Masa molowa360.4 g/mol
IUPAC(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
SMILESC[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
InChIKeyPQSUYGKTWSAVDQ-ZVIOFETBSA-N
logP (XLogP3)1.1
PSA91.7 Ų
HBD / HBA2 / 5
PubChem CIDCID 5839 ↗
Scientific literature

Related literature

4 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
ALDOSTERONE · 52-39-1 · (+)-Aldosterone · Aldosterona · Aldosteronum · 11beta,21-Dihydroxy-3,20-diketo-4-pregnen-18-al · 11beta,21-Dihydroxypregn-4-ene-3,18,20-trione · (11BETA)-11,21-DIHYDROXY-3,20-DIOXOPREGN-4-EN-18-AL · 11beta,21-dihydroxy-3,20-dioxopregn-4-en-18-al · NSC-73856 · 11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al · 11beta,21-dihydroxy-3,20-dioxo-pregn-4-ene-18-al · 4964P6T9RB · CHEBI:27584 · NSC73856
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Aldosterone — CAS 52-39-1

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Aldosterone (CAS 52-39-1) — License & Provenance

Source:
Aldosterone (CAS 52-39-1) — MolGod molecule record

Source data: PubChem CID 5839

STL: Download 3D model (1 MB)

SHA-256: ac4a3cfef9dff6d23d34cf8fc67e46507bfeea97442de3bd1225658bc670f1f7

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Source data: PubChem CID 5839

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