Mollicellin E

8-chloro-4,9-dihydroxy-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde

Also Known As: Mollicellin E|MOLLICELLINE E|MOLLICELLINE|U7PT6U11O9|AC1L18MW|J2.770.218J|Q27137188|11H-Dibenzo(b,e)(1,4)dioxepin-4-carboxaldehyde, 2-chloro-3,9-dihydroxy-8-methoxy-1,6-dimethyl-7-(3-methyl-1-oxo-2-butenyl)-11-oxo-|8-chloro-4,9-dihydroxy-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde|2-chloro-3,9-dihydroxy-8-methoxy-1,6-dimethyl-7-(3-methylbut-2-enoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde|1,6-Dimethyl-2-chloro-3,9-dihydroxy-7-(3-methyl-2-butenoyl)-8-methoxy-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carbaldehyde|11H-DIBENZO(B,E)(1,4)DIOXEPIN-4-CARBOXALDEHYDE, 2-CHLORO-3,9-DIHYDROXY-8-METHOXY-1,6-DIMETHYL-7-(3-METHYL-1-OXO-2-BUTEN-1-YL)-11-OXO-|13-chloro-7,14-dihydroxy-6-methoxy-4,12-dimethyl-5-(3-methylbut-2-enoyl)-10-oxo-2,9-dioxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaene-15-carbaldehyde|13-chloro-7,14-dihydroxy-6-methoxy-4,12-dimethyl-5-(3-methylbut-2-enoyl)-10-oxo-2,9-dioxatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-15-carbaldehyde|8-chloro-4,9-dihydroxy-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)-6-oxo-benzo[b][1,4]benzodioxepine-10-carbaldehyde

Molecular Formula	C22H19ClO8
Molecular Weight	446.07684 g/mol
LogP	4.66
Topological Polar Surface Area	119.36 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	446.07684
Heavy Atoms	31
Complexity	1189.5

Chemical Identifiers

CAS Number	68455-10-7
SMILES	CC1=C2C(=C(C(=C1Cl)O)C=O)OC3=C(C(=C(C(=C3C)C(=O)C=C(C)C)OC)O)OC2=O