Molecule ID: 56677382

IUPAC Name: 8-chloro-12-hydroxy-5-[(E)-4-hydroxy-3-methylpent-1-enyl]-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.02,7.012,17]heptadeca-2,5,7-triene-9,16-dione

Description: The molecule is an organic heterotetracyclic compound with formula C23H27ClO7 isolated from Chaetomium globosum. It is a diastereoisomer of chaetomugilin A (which has a significantly different optical rotation). It has a role as a Chaetomium metabolite. It is an enone, a lactol, a delta-lactone, an organochlorine compound and an organic heterotetracyclic compound.

SMILES: CC(O)C(C)/C=C/C1=CC2=C(Cl)C(=O)C3(C)OC4(O)C(C)C(C)OC(=O)C4C3C2=CO1

SELFIES: [C][C][Branch1][C][O][C][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][C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Ring1][#Branch2][C][Ring1][=C][C][Ring2][Ring1][Ring2][=C][O][Ring2][Ring1][Branch2]

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

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: 2.0