Secondary metabolite: 15α-Acetoxy-5α-lanosta-7,9(11),24-trien-3β,26-diol Summary Molecular formula: C32H50O4
SMILES: OC/C(=C/CC[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)OC(=O)C)C)/C InChI: InChI=1S/C32H50O4/c1-20(19-33)10-9-11-21(2)25-18-28(36-22(3)34)32(8)24-12-13-26-29(4,5)27(35)15-16-30(26,6)23(24)14-17-31(25,32)7/h10,12,14,21,25-28,33,35H,9,11,13,15-19H2,1-8H3/b20-10+/t21-,25-,26+,27+,28+,30-,31-,32-/m1/s1 InChIKey: OCXPPHJZMMXOOC-CAQVYMNZSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: 15α-acetoxy-5α-lanosta-7,9(11),24-trien-3β,26-diol
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 498.75 Log P RDKit 6.77 Topological polar surface area (Å2 ) RDKit 66.76 Number of hydrogen bond acceptors RDKit 4 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 32 Number of heavy atoms RDKit 36 Number of heteroatoms RDKit 4 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 8 Stereochemical complexity RDKit 0.25 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 7 Number of sp3 hybridized carbon atoms RDKit 25 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.78 Shape complexity RDKit 0.78 Number of rotatable bonds SwissADME 7 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
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