Secondary metabolite: (+)-Lanosta-7,9(11),24-triene-3beta,21-diol Summary Molecular formula: C30H46O3
SMILES: OC[C@@H]([C@H]1C(=O)C[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)CCC=C(C)C InChI: InChI=1S/C30H46O3/c1-19(2)9-8-10-20(18-31)26-23(32)17-30(7)22-11-12-24-27(3,4)25(33)14-15-28(24,5)21(22)13-16-29(26,30)6/h9,11,13,20,24-26,31,33H,8,10,12,14-18H2,1-7H3/t20-,24-,25-,26-,28+,29+,30-/m0/s1 InChIKey: BUIKYFGHLFKLDB-NYKPBSMSSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: (+)-lanosta-7,9(11),24-triene-3beta,21-diol
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 454.69 Log P RDKit 6.41 Topological polar surface area (Å2 ) RDKit 57.53 Number of hydrogen bond acceptors RDKit 3 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 30 Number of heavy atoms RDKit 33 Number of heteroatoms RDKit 3 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 7 Stereochemical complexity RDKit 0.23 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 7 Number of sp3 hybridized carbon atoms RDKit 23 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.77 Shape complexity RDKit 0.77 Number of rotatable bonds SwissADME 5 Number of aliphatic carbocycles RDKit 4 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 4 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 4 Number of saturated carbocycles RDKit 2 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 2 Number of Smallest Set of Smallest Rings (SSSR) RDKit 4
TOP 
