Secondary metabolite: Ostalactone B Summary Molecular formula: C14H20O4
SMILES: COC(C1=C[C@@]2([C@H](C1)OC2=O)CC=C(C)C)OC InChI: InChI=1S/C14H20O4/c1-9(2)5-6-14-8-10(12(16-3)17-4)7-11(14)18-13(14)15/h5,8,11-12H,6-7H2,1-4H3/t11-,14+/m0/s1 InChIKey: GACCQQMPKZGHGJ-SMDDNHRTSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organoheterocyclic compounds Class: Lactones
Sub class: Beta propiolactones
Synonymous chemical names: ostalactone b
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 252.31 Log P RDKit 2.2 Topological polar surface area (Å2 ) RDKit 44.76 Number of hydrogen bond acceptors RDKit 4 Number of hydrogen bond donors RDKit 0 Number of carbon atoms RDKit 14 Number of heavy atoms RDKit 18 Number of heteroatoms RDKit 4 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 2 Stereochemical complexity RDKit 0.14 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 5 Number of sp3 hybridized carbon atoms RDKit 9 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.64 Shape complexity RDKit 0.64 Number of rotatable bonds SwissADME 5 Number of aliphatic carbocycles RDKit 1 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 2 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 2 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 2
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