Molecule ID: 53388302

IUPAC Name: (1S,4S,8S,11S)-1-hydroxy-8,10,10-trimethyl-3,6-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,5-dione

Description: The molecule is a sesquiterpene lactone isolated from Aspergillus aculeatus. It has a role as an Aspergillus metabolite. It is a sesquiterpene lactone, a tertiary alcohol and an organic heterotetracyclic compound.

SMILES: CC1(C)C[C@]2(C)COC(=O)[C@H]3OC(=O)[C@]4(O)CC[C@@H]1C324

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

InChI: InChI=1S/C15H20O5/c1-12(2)6-13(3)7-19-10(16)9-15(13)8(12)4-5-14(15,18)11(17)20-9/h8-9,18H,4-7H2,1-3H3/t8-,9+,13+,14+,15?/m0/s1

Molecular Properties:
- Polar Surface Area: 72.8 Ų
- LogP: 1.7