Secondary metabolite: Inoterpene F Summary Molecular formula: C30H48O2
SMILES: CC(=C)[C@H]1CC[C@@H]([C@H]1O)[C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C InChI: InChI=1S/C30H48O2/c1-18(2)19-8-9-20(26(19)32)21-12-16-30(7)23-10-11-24-27(3,4)25(31)14-15-28(24,5)22(23)13-17-29(21,30)6/h19-21,24-26,31-32H,1,8-17H2,2-7H3/t19-,20-,21-,24+,25+,26+,28-,29-,30+/m1/s1 InChIKey: ZWERNHOIIKQJCO-XMFDCKGJSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: inoterpene f
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 440.71 Log P RDKit 7.06 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 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 9 Stereochemical complexity RDKit 0.3 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 4 Number of sp3 hybridized carbon atoms RDKit 26 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.87 Shape complexity RDKit 0.87 Number of rotatable bonds SwissADME 2 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 3 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 3 Number of Smallest Set of Smallest Rings (SSSR) RDKit 5
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