Secondary metabolite: Antcamphorol H Summary Molecular formula: C29H46O2
SMILES: C=C(C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@H](O)C=C1C2=CC[C@@H]2[C@]1(C)CC[C@@H]([C@H]2C)O)C InChI: InChI=1S/C29H46O2/c1-17(2)18(3)8-9-19(4)22-12-13-24-21-10-11-23-20(5)26(30)14-15-28(23,6)25(21)16-27(31)29(22,24)7/h10,16-17,19-20,22-24,26-27,30-31H,3,8-9,11-15H2,1-2,4-7H3/t19-,20+,22-,23+,24+,26+,27-,28+,29-/m1/s1 InChIKey: SYHLRQVFZICNPV-AZFNPJMLSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Steroids and steroid derivatives
Sub class: Ergostane steroids
Synonymous chemical names: antcamphorol h
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 426.69 Log P RDKit 6.69 Topological polar surface area (Å2 ) RDKit 40.46 Number of hydrogen bond acceptors RDKit 2 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 29 Number of heavy atoms RDKit 31 Number of heteroatoms RDKit 2 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 9 Stereochemical complexity RDKit 0.31 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 6 Number of sp3 hybridized carbon atoms RDKit 23 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.79 Shape complexity RDKit 0.79 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 
