Structure via PubChem · Public domain (PubChem)
24-ethyl coprostanol
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biomarker of agricultural faecal contamination
Chemical data
- Formula
- C29H52O
- Molecular weight
- 416.7 g/mol
- IUPAC name
- (3S,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
- SMILES
- CCC(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
- InChIKey
- LGJMUZUPVCAVPU-OKGOGUTDSA-N
- XLogP
- 10.2
- Polar surface area
- 20.2 Ų
- H-bond donors
- 1
- H-bond acceptors
- 1
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 416.401816284
Show 3 more facts
- canonical SMILES
- CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C
- chemical formula
- C₂₉H₅₂O
- isomeric SMILES
- O[C@H]1CC[C@@]2(C)[C@@](CC[C@]3([H])[C@@]([H])2CC[C@@]4(C)[C@]([H])3CC[C@@]([H])4[C@@H](CCC(CC)C(C)C)C)([H])C1
Sources (1)
via Wikidata · CC0