Molecule ID: 11807014

IUPAC Name: (1R,3S,6S,7S,10S,11R)-3,7,12-trimethyl-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one

Description: The molecule is an organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is arglabin in which the exocyclic double bond has been reduced to a single bond. It is found in Artemesia adamsii. It has a role as a metabolite. It is a gamma-lactone, an epoxide, an organic heterotetracyclic compound and a sesquiterpene lactone. It derives from an arglabin.

SMILES: CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]13

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

InChI: InChI=1S/C15H20O3/c1-8-4-7-15-11(8)12-10(9(2)13(16)17-12)5-6-14(15,3)18-15/h4,9-12H,5-7H2,1-3H3/t9-,10-,11+,12-,14-,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 38.8 Ų
- LogP: 1.8