corticosterone

Synonyms: "17-Deoxycortisol", "11-Hydroxycorticoaldosterone", "(11beta)-11,21-Dihydroxypregn-4-ene-3,20-dione", "11beta,21-Dihydroxy-4-pregnene-3,20-dione", "4-Pregnene-11beta,21-diol-3,20-dione", "11,21-Dihydroxyprogesterone", "11Beta,21-dihydroxypregn-4-ene-3,20-dione", "11,12-Dihydroxyprogesterone"

Source: corticosterone is a hormone.

Identifiers:

IUPAC Name: (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Number: 50-22-6
PubChem ID: 5753
InChiKey: OMFXVFTZEKFJBZ-HJTSIMOOSA-N
Canonical SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O

Structural Properties:

Molecular Formula: C₂₁H₃₀O₄
Molecular Weight: 346.5

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 25

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant

Tran, N. H., Reinhard, M., Khan, E., Chen, H., Nguyen, V. T., Li, Y., ... & Gin, K. Y. H. (2019). Emerging contaminants in wastewater, stormwater runoff, and surface water: Application as chemical markers for diffuse sources. Science of the Total Environment, 676, 252-267.

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