Lithooxazoline
Basic information
- CAS
80724-92-1- Standard SMILES
C[C@H](CCC1=NC(C)(C)CO1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
IWBRPFCTPVMWIJ-CUYCEIPOSA-N- Molecular formula
- C28H47NO2
- Average molar mass
- 429.7 g/mol
- Monoisotopic mass
- 429.36067974
Overview
structure given in first source
Names & identifiers
- Preferred name
- Lithooxazoline
- IUPAC
- (3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-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
- English name
- lithooxazoline
- Molecular formula
- C28H47NO2
- Molecular weight
- 429.68
Names & synonyms
Lithooxazoline80724-92-124-Norcholan-3-ol, 23-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-, (3alpha,5beta)-RefChem:153792(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-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-olorb3141632TN11222HY-122030CS-008135324-Norcholan-3-ol, 23-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-, (3α,5β)- (9CI)
Database identifiers
- CAS
80724-92-1- PubChem CID
- 196176
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 716
Chemistry & industry
Applications
DescriptionLithooxazoline is a bile acid oxazoline compound that inhibited the growth of certain members of the genera Eubacterium, Clostridium, Bacteroides and Staphylococcus.
UsesLithooxazoline is a potent antibacterial agent[1].
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Related reactions
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Compound notes
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