Molecule ID: 53355896

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

Description: The molecule is an azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a methyl group at position 6a, a 2-methylbutanoyl group at position 9 and a 3-methylpent-1-en-1-yl group at position 3. It has been isolated from Chaetomium globosum. It is a gamma-lactone, an azaphilone, an enone, an organic heterotricyclic compound and an organochlorine compound.

SMILES: CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)CC)=C3C2=CO1

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

InChI: InChI=1S/C23H25ClO5/c1-6-12(3)8-9-14-10-15-16(11-28-14)18-17(20(25)13(4)7-2)22(27)29-23(18,5)21(26)19(15)24/h8-13H,6-7H2,1-5H3/b9-8+/t12-,13+,23-/m0/s1

Molecular Properties:
- Polar Surface Area: 69.7 Ų
- LogP: 4.4