AC1MSWDV

1-[4-[[2-(3-bromophenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]phenyl]ethanone

Also Known As: F1361-0057|1-(4-(((2S,4aR,6S,7R,8R,8aS)-2-(3-bromophenyl)-7,8-dihydroxyhexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy)phenyl)ethanone|1-(4-{[2-(3-bromophenyl)-7,8-dihydroxy-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}phenyl)ethan-1-one|1-[4-[[2-(3-bromophenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]phenyl]ethanone|1-[4-[[9-(3-bromophenyl)-2,3-dihydroxy-5,8,10-trioxabicyclo[4.4.0]dec-4-yl]oxy]phenyl]ethanone|1-{p-[2-(m-bromophenyl)-7,8-dihydroxy-1,3,5-trioxahexahydro-6H-naphth-6-yloxy]phenyl}-1-ethanone|1-acetyl-4-[6-(3-bromophenyl)-3,4-dihydroxy(2H-3,4,5,6,7,8,4a,8a-octahydro-5,7 -dioxachromen-2-yloxy)]benzene

Molecular Formula	C21H21BrO7
Molecular Weight	464.04706 g/mol
LogP	2.5914
Topological Polar Surface Area	94.45 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	464.04706
Monoisotopic Mass	464.04706
Heavy Atoms	29
Complexity	869.58826

Chemical Identifiers

CAS Number	1024591-56-7
SMILES	CC(=O)C1=CC=C(C=C1)OC2C(C(C3C(O2)COC(O3)C4=CC(=CC=C4)Br)O)O