Secondary metabolite: 1beta-Hydroxylfriedelin Summary Molecular formula: C30H50O2
SMILES: O=C1C[C@@H](O)[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C InChI: InChI=1S/C30H50O2/c1-19-20(31)17-21(32)24-27(19,5)10-9-22-28(24,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(22,30)7/h19,21-24,32H,9-18H2,1-8H3/t19-,21+,22-,23+,24+,26+,27+,28+,29+,30-/m0/s1 InChIKey: BFXGCIAJMLLIBE-NYCLATEYSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: 1beta-hydroxylfriedelin
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 442.73 Log P RDKit 7.43 Topological polar surface area (Å2 ) RDKit 37.3 Number of hydrogen bond acceptors RDKit 2 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 30 Number of heavy atoms RDKit 32 Number of heteroatoms RDKit 2 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 10 Stereochemical complexity RDKit 0.33 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 1 Number of sp3 hybridized carbon atoms RDKit 29 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.97 Shape complexity RDKit 0.97 Number of rotatable bonds SwissADME 0 Number of aliphatic carbocycles RDKit 5 Number of aliphatic heterocycles RDKit 0 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 5 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 5 Number of Smallest Set of Smallest Rings (SSSR) RDKit 5
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