5'alpha-Epirotenone

(1S,6S,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

Also Known As: rotenone|5'alpha-Epirotenone|(-)-Epirotenone|Epirotenone, (-)-|5 alpha-Epirotenone|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-,(2S-(2alpha,6abeta,12abeta))-|(1S,6S,13S)-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3,8,10,14(19),15,17-hexaen-12-one|(2S)-1,2,12,12aalpha-Tetrahydro-8,9-dimethoxy-2beta-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aalphaH)-one|(2S,6aS,12aS)-8,9-Dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one

Molecular Formula	C23H22O6
Molecular Weight	394.14163 g/mol
LogP	4.1
Topological Polar Surface Area	63.2 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	394.14163
Monoisotopic Mass	394.14163
Heavy Atoms	29
Complexity	664.0

Chemical Identifiers

CAS Number	42344-76-3
SMILES	CC(=C)[C@@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC
InChIKey	JUVIOZPCNVVQFO-DQLDELGASA-N