Bruceol

16-hydroxy-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.02,7.09,18.012,17]nonadeca-1,3,7,9(18)-tetraen-5-one

Also Known As: Bruceol|(-)-Bruceol|hydroxy(trimethyl)[?]one|NCIOpen2_009184|1-hydroxy-2,5,5-trimethyl-1,3,4,4a,5,12b-hexahydro-2h,9h-2,12-epoxybenzo[c]pyrano[3,2-g]chromen-9-one|1-Hydroxy-2,5,5-trimethyl-1,3,4,4a,5,12b-hexahydro-2H,9H-2,12-epoxybenzo[d]benzo[1,2-b:5,4-b']dipyran-9-one|16-Hydroxy-11,11,15-trimethyl-6,10,19-trioxapentacyclo(13.3.1.02,7.09,18.012,17)nonadeca-1,3,7,9(18)-tetraen-5-one|16-hydroxy-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.02,7.09,18.012,17]nonadeca-1,3,7,9(18)-tetraen-5-one|2,4-Ethano-2H,9H-dipyrano[4,3,2-de:3',2'-g][1]benzopyran-9-one, 3,3a,4,5-tetrahydro-3-hydroxy-2,5,5-trimethyl-, [2R-(2.alpha.,3.beta.,3a.beta.,4.alpha.)]-|2,4-Ethano-2H,9H-dipyrano[4,3,2-de:3, 2-g][1]benzopyran-9-one, 3,3a,4,5-tetrahydro-3-hydroxy-2,5, 5-trimethyl-, [2R- (2.alpha.,3.beta.,3a.beta.,4.alpha.)]-|2,9H-dipyrano[4,3,2-de:3',2'-g][1]benzopyran-9-one, 3,3a,4,5-tetrahydro-3-hydroxy-2,5,5-trimethyl-, [2R-(2.alpha.,3.beta.,3a.beta.,4.alpha.)]-

Molecular Formula	C19H20O5
Molecular Weight	328.13107 g/mol
LogP	2.4
Topological Polar Surface Area	65.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	0
Exact Mass	328.13107
Monoisotopic Mass	328.13107
Heavy Atoms	24
Complexity	613.0

Chemical Identifiers

CAS Number	3323-73-7
SMILES	CC1(C2CCC3(C(C2C4=C(O1)C=C5C(=C4O3)C=CC(=O)O5)O)C)C
InChIKey	AINCADFEINJXSR-UHFFFAOYSA-N