Molecule ID: 53355898

IUPAC Name: (6aS)-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-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 3-hydroxy-2-methylbutanoyl group at position 9, a methyl group at position 6a and a 3-methylpent-1-en-1yl group at position 3. It has been isolated from Chaetomium globosum. It has a role as a Chaetomium metabolite. It is a gamma-lactone, an azaphilone, an enone, an organic heterotricyclic compound and a secondary alcohol.

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

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

InChI: InChI=1S/C23H26O6/c1-6-12(2)7-8-16-9-15-10-18(25)23(5)20(17(15)11-28-16)19(22(27)29-23)21(26)13(3)14(4)24/h7-14,24H,6H2,1-5H3/b8-7+/t12-,13-,14+,23+/m0/s1

Molecular Properties:
- Polar Surface Area: 89.9 Ų
- LogP: 2.4