Dianemycin

(E)-8-[7-hydroxy-2-[2-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-(5-methoxy-6-methyloxan-2-yl)oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid

Also Known As: Dianemycin|19-epi-dianemycin|CP 60993|CP-60,993|(E)-8-[7-hydroxy-2-[2-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-(5-methoxy-6-methyloxan-2-yl)oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid|(6E)-8-(9-Hydroxy-2-{2-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethylperhydro-2H-pyran-2-yl]-9-(5-methoxy-6-methylperhydro-2H-pyran-2-yloxy)-4,10-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-2,4,6-trimethyl-5-oxonon-6-enoic acid|(E)-8-[7-hydroxy-3-[3-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-7-(5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxo-non-6-enoic acid|(E)-8-[7-hydroxy-3-[3-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-7-(5-methoxy-6-methyloxan-2-yl)oxy-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid

Molecular Formula	C47H78O14
Molecular Weight	866.5392 g/mol
LogP	6.1496
Topological Polar Surface Area	188.9 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	13
Rotatable Bonds	13
Exact Mass	866.5392
Monoisotopic Mass	866.5392
Heavy Atoms	61
Complexity	1574.7667

Chemical Identifiers

CAS Number	35865-33-9
SMILES	CC1CC(C(OC1C2CC(C3(O2)C(C(CC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)/C=C(\C)/C(=O)C(C)CC(C)C(=O)O)C)O)C)OC6CCC(C(O6)C)OC)C)C)(CO)O)C