Molecule ID: 156286

IUPAC Name: (3bR,9bS)-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one

Description: The molecule is a tetracyclic diterpenoid with formula C21H26O3, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite. It is a gamma-lactone, an aromatic ether, an organic heterotetracyclic compound and a tetracyclic triterpenoid.

SMILES: COc1c(C(C)C)ccc2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3

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

InChI: InChI=1S/C21H26O3/c1-12(2)13-5-7-17-15(19(13)23-4)6-8-18-16-11-24-20(22)14(16)9-10-21(17,18)3/h5,7,12,18H,6,8-11H2,1-4H3/t18-,21+/m0/s1

Molecular Properties:
- Polar Surface Area: 35.5 Ų
- LogP: 4.4