Coprosterol

Synonyms: Coprosterol, "Stercorin", "5beta-Cholestan-3beta-ol", "Koprosterol", "Koprosterin", "5beta Coprostanol", "5-beta-Cholestan-3-beta-ol", "3-beta-Cholestanol", "Coprostan-3-beta-ol", "3-beta-Hydroxycholestane", "Cholestan-3-ol,5.beta.)-", "3beta-Hydroxy-5beta-cholestanol", "5.beta.-Cholestan-3.beta.-ol", "Coprostan-3-ol", "(3-beta,5-beta)-Cholestan-3-ol"

Source: Coprosterol is formed by microbiological reduction of cholesterol in the lower intestinal tract.

Identifiers:

IUPAC Name: (3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Number: 360-68-9
PubChem ID: 221122
InChiKey: QYIXCDOBOSTCEI-NWKZBHTNSA-N
Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

Structural Properties:

Molecular Formula: C₂₇H₄₈O
Molecular Weight: 388,700

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 28

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Evidence Supporting This Chemical as an Emerging Contaminant

Baldwin, A. K., Corsi, S. R., De Cicco, L. A., Lenaker, P. L., Lutz, M. A., Sullivan, D. J., & Richards, K. D. (2016). Organic contaminants in Great Lakes tributaries: Prevalence and potential aquatic toxicity. Science of the Total Environment, 554, 42-52.

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