Molecule ID: 52952436

IUPAC Name: [(3bR,4R,5aR,9aR,9bR,11aR)-3b,6,6,9a,11a-pentamethyl-2,7-dioxo-4,5,5a,9b,10,11-hexahydronaphtho[2,1-e][1]benzofuran-4-yl] acetate

Description: The molecule is an acetate ester, a gamma-lactone, a cyclic terpene ketone, an enone, a limonoid and an organic heterotetracyclic compound. It has a role as a plant metabolite.

SMILES: CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)OC(=O)C=C3[C@@]21C

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

InChI: InChI=1S/C23H30O5/c1-13(24)27-18-11-15-20(2,3)17(25)8-9-21(15,4)14-7-10-22(5)16(23(14,18)6)12-19(26)28-22/h8-9,12,14-15,18H,7,10-11H2,1-6H3/t14-,15+,18-,21-,22-,23-/m1/s1

Molecular Properties:
- Polar Surface Area: 69.7 Ų
- LogP: 3.3