Ochrephilone

(6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione

Also Known As: Ochrephilone|MEGxm0_000198|ACon0_000532|ACon1_000466|NCGC00169052-01|NCGC00169052-03|(6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione|6H-Furo(2,3-h)-2-benzopyran-6,8(6aH)-dione, 9acetyl-3-((1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl)-9-9a-dihydro-6a-methyl|(6aR,9R,9aR)-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-9-ethanoyl-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione|(6aR,9R,9aR)-9-acetyl-3-((1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl)-6a-methyl-9,9a-dihydrofuro(2,3-h)isochromene-6,8-dione|(6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofur[2,3-h]isochromene-6,8-quinone|(6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h][2]benzopyran-6,8-dione|6H-Furo[2,3-h]-2-benzopyran-6,8(6aH)-dione, 9acetyl-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl]-9-9a-dihydro-6a-methyl|9-Acetyl-9,9a-dihydro-6a-methyl-3-(3,5-dimethyl-1,3-heptadienyl)-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione

Molecular Formula	C23H26O5
Molecular Weight	382.178 g/mol
LogP	3.979
Topological Polar Surface Area	69.67 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	382.178
Monoisotopic Mass	382.178
Heavy Atoms	28
Complexity	882.66876

Chemical Identifiers

CAS Number	53014-38-3
SMILES	CC[C@H](C)/C=C(\C)/C=C/C1=CC2=CC(=O)[C@]3([C@@H](C2=CO1)[C@@H](C(=O)O3)C(=O)C)C