Molecule ID: 133221

IUPAC Name: (3bS,9bR)-6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e][2]benzofuran-1,5-dione

Description: The molecule is a tetracyclic diterpenoid with formula C20H22O4, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite. It is a gamma-lactone, an organic heterotetracyclic compound, a member of phenols, a tetracyclic triterpenoid, a cyclic terpene ketone and an aromatic ketone.

SMILES: CC(C)c1ccc2c(c1O)C(=O)C[C@@H]1C3=C(CC[C@@]21C)C(=O)OC3

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

InChI: InChI=1S/C20H22O4/c1-10(2)11-4-5-14-17(18(11)22)16(21)8-15-13-9-24-19(23)12(13)6-7-20(14,15)3/h4-5,10,15,22H,6-9H2,1-3H3/t15-,20+/m1/s1

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 3.5