Secondary metabolite: (+)-(2S,3R,6S,7S)-tremul-1(10)-ene-2,12-diol Summary Molecular formula: C15H26O2
SMILES: OC[C@H]1CC[C@@H]([C@H]2C(=CC(C2)(C)C)[C@@]1(C)O)C InChI: InChI=1S/C15H26O2/c1-10-5-6-11(9-16)15(4,17)13-8-14(2,3)7-12(10)13/h8,10-12,16-17H,5-7,9H2,1-4H3/t10-,11+,12-,15-/m0/s1 InChIKey: KQDBJTFTSGZHJB-OXIQGZBJSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organic oxygen compounds Class: Organooxygen compounds
Sub class: Alcohols and polyols
Synonymous chemical names: (+)-(2s,3r,6s,7s)-tremul-1(10)-ene-2,12-diol
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 238.37 Log P RDKit 2.75 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 15 Number of heavy atoms RDKit 17 Number of heteroatoms RDKit 2 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 4 Stereochemical complexity RDKit 0.27 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 2 Number of sp3 hybridized carbon atoms RDKit 13 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.87 Shape complexity RDKit 0.87 Number of rotatable bonds SwissADME 1 Number of aliphatic carbocycles RDKit 2 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 2 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 2 Number of saturated carbocycles RDKit 1 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 2
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