Molecule ID: 128563

IUPAC Name: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate

Description: The molecule is an organic heterotricyclic compound and an organooxygen compound. It has a role as a metabolite and a oneirogen.

SMILES: COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C

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

InChI: InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 2.5