Secondary metabolite: Strophasterol A Summary Molecular formula: C28H44O4
SMILES: O[C@H]1CC[C@]2([C@@]3(C1)O[C@H]3[C@@H](C1=C2CC[C@](C1=O)(C)[C@@H]1CC[C@@H]([C@H]1C)C[C@@H](C(C)C)C)O)C InChI: InChI=1S/C28H44O4/c1-15(2)16(3)13-18-7-8-20(17(18)4)26(5)11-10-21-22(24(26)31)23(30)25-28(32-25)14-19(29)9-12-27(21,28)6/h15-20,23,25,29-30H,7-14H2,1-6H3/t16-,17+,18+,19-,20+,23+,25-,26+,27+,28-/m0/s1 InChIKey: ULYVEOOCGBYFBH-KWLTWCCKSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Monoterpenoids
Synonymous chemical names: strophasterol a
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 444.66 Log P RDKit 5.06 Topological polar surface area (Å2 ) RDKit 70.06 Number of hydrogen bond acceptors RDKit 4 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 28 Number of heavy atoms RDKit 32 Number of heteroatoms RDKit 4 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 10 Stereochemical complexity RDKit 0.36 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 3 Number of sp3 hybridized carbon atoms RDKit 25 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.89 Shape complexity RDKit 0.89 Number of rotatable bonds SwissADME 4 Number of aliphatic carbocycles RDKit 4 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 5 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 5 Number of saturated carbocycles RDKit 2 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 3 Number of Smallest Set of Smallest Rings (SSSR) RDKit 5
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