pergillin structure

pergillin

(7R)-7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one

Also Known As: pergillin|MEGxm0_000033|ACon0_000334|7H-Furo(3,2-h)(2)benzopyran-3(2H)-one, 6,9-dihydro-7-hydroxy-7-methyl-2-(1-methylethylidene)-, (7R)-|(7R)-7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one|(11R)-11-hydroxy-11-methyl-4-(propan-2-ylidene)-3,12-dioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),7-trien-5-one|(7R)-7-Hydroxy-7-methyl-2-(propan-2-ylidene)-6,9-dihydro-7H-furo[3,2-h][2]benzopyran-3(2H)-one|(R)-6,9-Dihydro-7-hydroxy-7-methyl-2-(1-methylethylidene)-7H-furo[3,2-h][2]benzopyran-3(2H)-one

CAS: 74798-20-2
Molecular Formula C15H16O4
Molecular Weight 260.10486 g/mol
LogP 2.3
Topological Polar Surface Area 55.8 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 0
Exact Mass 260.10486
Monoisotopic Mass 260.10486
Heavy Atoms 19
Complexity 437.0

Chemical Identifiers

CAS Number 74798-20-2
SMILES CC(=C1C(=O)C2=C(O1)C3=C(C[C@](OC3)(C)O)C=C2)C
InChIKey MKXDAWJZYZIEIP-OAHLLOKOSA-N

Product Overview

pergillin (CAS 74798-20-2), with molecular formula C15H16O4 and molecular weight 260.10486 g/mol. IUPAC: (7R)-7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one.

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