Duclauxin

(9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8,10,12(26),16(25),17,19-heptaen-24-yl) acetate

Also Known As: Duclauxin|(9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8,10,12(26),16(25),17,19-heptaen-24-yl) acetate|[(1S,2R,24R)-9,19-Dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8,10,12(26),16(25),17,19-heptaen-24-yl] acetate|(8R,16S)-16-Acetoxy-8a,15abeta-dihydro-4,11-dihydroxy-8abeta-methoxy-6,9-dimethyl-7H-8,15balpha-methano-1H,3H,12H-benzo[de]cyclohepta[1,2-g:3,4,5-d'e']bis[2]benzopyran-3,7,12,15(8H)-tetrone|(9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo(12.9.1.11,16.14,8.02,13.012,26.020,25)hexacosa-4,8,10,12(26),16(25),17,19-heptaen-24-yl) acetate|15H,15a-Methano-3H,13H-benzo[de]cycloocta[1,2-g:3,4,5d'e']bis[2]benzopyran-3,9,13,16-tetrone, 17-(acetyloxy)-6b,7,8,15b-tetrahydro-4,12-dihydroxy-6b-methoxy-6,10-dimethyl-|15H-8,13H-benzo[de]cycloocta[1,2-g:3,4,5-d'e']bis[2]benzopyran-3,9,13,16-tetrone, 17-(acetyloxy)-6b,7,8,15b-tetrahydro-4,12-dihydroxy-6b-methoxy-6,10-dimethyl-|15H-8,15a-Methano-3H,13H-benzo(de)cycloocta(1,2-g:3,4,5-d'e')bis(2)benzopyran-3,9,13,16-tetrone, 17-(acetyloxy)-6b,7,8,15b-tetrahydro-4,12-dihydroxy-6b-methoxy-6,10-dimethyl-|15H-8,15a-Methano-3H,13H-benzo[de]cycloocta[1,2-g_3,4,5-d'e']bis[2]benzopyran-3,9,13,16-tetrone,17-(acetyloxy)-6b,7,8,15b-tetrahydro-4,12-dihydroxy-6b-methoxy-6,10-dimethyl-|4,11-Dihydroxy-8a-methoxy-6,9-dimethyl-3,7,12,15-tetraoxo-8,8a,15,15a-tetrahydro-1H,3H,7H,12H-8,15b-methanopyrano[3'',4'',5'':4',5']naphtho[1',2':6,7]cyclohepta[1,2,3-de][2]benzopyran-16-yl acetate

Molecular Formula	C29H22O11
Molecular Weight	546.1162 g/mol
LogP	2.34144
Topological Polar Surface Area	166.64 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	11
Rotatable Bonds	2
Exact Mass	546.1162
Monoisotopic Mass	546.1162
Heavy Atoms	40
Complexity	1849.1074

Chemical Identifiers

CAS Number	1732-37-2
SMILES	CC1=CC(=C2C3=C1C(=O)C4C(C3(COC2=O)C5C4(C6=C7C(=COC(=O)C7=C(C=C6C)O)C5=O)OC)OC(=O)C)O