Molecule ID: 11954201

IUPAC Name: (4R,6R)-6-[2-[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one

Description: The molecule is a pyranone obtained by selective hydrogenation of the 4a,5-double bond in monacolin L. It is a member of 2-pyranones and a member of octahydronaphthalenes. It derives from a monacolin L.

SMILES: C[C@@H]1CC[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=C[C@H]2C1

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

InChI: InChI=1S/C19H30O3/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-16-10-15(20)11-19(21)22-16/h4-5,12-18,20H,3,6-11H2,1-2H3/t12-,13+,14+,15-,16-,17+,18+/m1/s1

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 4.3