Molecule ID: 53355897

IUPAC Name: (6aS,9R,9aS)-5-chloro-9-[(2S,3S)-3-hydroxy-2-methylbutanoyl]-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione

Description: The molecule is an azaphilone that is the 12beta-hydroxy derivative of chaetoviridin C. It has been isolated from Chaetomium globosum. It is a beta-hydroxy ketone, a gamma-lactone, an azaphilone, an enone, an organic heterotricyclic compound, an organochlorine compound and a secondary alcohol. It derives from a chaetoviridin C.

SMILES: C[C@H](O)[C@H](C)C(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C/[C@@H](C)[C@@H](C)O)OC=C3[C@H]12

SELFIES: [C][C@H1][Branch1][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][=Branch1][C][=O][O][C@][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][C][=C][Branch1][N][/C][=C][/C@@H1][Branch1][C][C][C@@H1][Branch1][C][C][O][O][C][=C][Ring1][=N][C@H1][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2]

InChI: InChI=1S/C23H27ClO7/c1-10(12(3)25)6-7-14-8-15-16(9-30-14)18-17(20(27)11(2)13(4)26)22(29)31-23(18,5)21(28)19(15)24/h6-13,17-18,25-26H,1-5H3/b7-6+/t10-,11+,12-,13+,17-,18-,23+/m1/s1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 2.0