Molecule ID: 9816788

IUPAC Name: (1S,2R,7S,9S,11S)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-11,2'-oxirane]-9,12-diol

Description: The molecule is an organic heterotricyclic compound that is isolated from the fermentation broth of Curvularia sp. RK97-F166. It has a role as a fungal metabolite. It is a cyclic hemiketal, a bridged compound, an organic heterotricyclic compound and a spiro-epoxide.

SMILES: CC1=C[C@@H]2O[C@@]3(O)C[C@@]4(CO4)[C@](C)(C3O)[C@@]2(C)CC1

SELFIES: [C][C][=C][C@@H1][O][C@@][Branch1][C][O][C][C@@][Branch1][Branch1][C][O][Ring1][Ring1][C@][Branch1][C][C][Branch1][Branch1][C][Ring1][=Branch2][O][C@@][Ring1][=N][Branch1][C][C][C][C][Ring2][Ring1][C]

InChI: InChI=1S/C15H22O4/c1-9-4-5-12(2)10(6-9)19-15(17)7-14(8-18-14)13(12,3)11(15)16/h6,10-11,16-17H,4-5,7-8H2,1-3H3/t10-,11?,12-,13+,14+,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 62.2 Ų
- LogP: 0.5