Molecule ID: 442036

IUPAC Name: (1S,2R,4S,5R,10S,12S,14R,15R,18R)-5-[(2R)-2-hydroxy-1-methylsulfonylpropan-2-yl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione

Description: The molecule is a diterpenoid that is a organic heterohexacyclic compound consisting of lactone and epoxide ring systems. It is isolated from Podocarpus macrophyllus. It has a role as a metabolite. It is a diterpenoid, a gamma-lactone, a delta-lactone, an epoxide, a sulfone, a tertiary alcohol and an organic heterohexacyclic compound.

SMILES: C[C@]12C(=O)O[C@@H]3[C@H]4O[C@@]45C(=CC(=O)O[C@@H]5[C@@](C)(O)CS(C)(=O)=O)[C@@](C)(C[C@@H]4O[C@@H]41)[C@@H]32

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

InChI: InChI=1S/C20H24O9S/c1-17-6-8-13(26-8)19(3)12(17)11(28-16(19)22)14-20(29-14)9(17)5-10(21)27-15(20)18(2,23)7-30(4,24)25/h5,8,11-15,23H,6-7H2,1-4H3/t8-,11-,12+,13-,14+,15+,17+,18-,19+,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: -1.1