Setomimycin structure

Setomimycin

4-acetyl-10-(1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-8,9-dihydroxy-3-methyl-4H-anthracen-1-one

Also Known As: Setomimycin|Setomimicin|Antibiotic AM 2947|Antibiotic A 39183B|Antibiotic A-39183B|AM-2947|AM 2947|4-acetyl-10-(1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-8,9-dihydroxy-3-methyl-4H-anthracen-1-one|A-39183B|(9,9'-Bianthracene)-4,4'(1H,1'H)-dione, 1,1'-diacetyl-2,3-dihydro-2,5,5',10,10'-pentahydroxy-2,2'-dimethyl-|1,1'-Diacetyl-2,3-dihydro-2,5,5',10,10'-pentahydroxy-2,2'-dimethyl[9,9'-bianthracene]-4,4'(1H,1'H)-dione|(9,9'-Bianthracene)-4,4'(1H,1'H)-dione, 2,3-dihydro-1,1'-diacetyl-2,2'-dimethyl-2,5,5',10,10'-pentahydroxy-|1,1 -Diacetyl-2,3-dihydro-2,5,5 ,10,10 -pentahydroxy-2,2 -dimethyl[9,9 -bianthracene]-4,4 (1H,1 H)-dione|1,1'-Diacetyl-2,3-dihydro-2,5,5',10,10'-pentahydroxy-2,2'-dimethyl[9,9'-bianthracene]-4,4' -dione|1,1'-diacetyl-2,5,5',10,10'-pentahydroxy-2,2'-dimethyl-2,3-dihydro-[9,9'-bianthracene]-4,4'(1h,1'h)-dione|1,1'-Diacetyl-2,5,5',10,10'-pentahydroxy-2,2'-dimethyl-2,3-dihydro[9,9'-bianthracene]-4,4'(1H,1'H)-dione|1,1'-DIACETYL-2,5,5',10,10'-PENTAHYDROXY-2,2'-DIMETHYL-3,4-DIHYDRO-1H,1'H,2H,4'H-[9,9'-BIANTHRACENE]-4,4'-DIONE

CAS: 72484-73-2
Molecular Formula C34H28O9
Molecular Weight 580.17334 g/mol
LogP 4.6
Topological Polar Surface Area 169.0 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 9
Rotatable Bonds 3
Exact Mass 580.17334
Monoisotopic Mass 580.17334
Heavy Atoms 43
Complexity 1230.0

Chemical Identifiers

CAS Number 72484-73-2
SMILES CC1=CC(=O)C2=C(C3=C(C=CC=C3O)C(=C2C1C(=O)C)C4=C5C(C(CC(=O)C5=C(C6=C4C=CC=C6O)O)(C)O)C(=O)C)O
InChIKey BIEJOJJMQZEKED-UHFFFAOYSA-N

Product Overview

Setomimycin (CAS 72484-73-2), with molecular formula C34H28O9 and molecular weight 580.17334 g/mol. IUPAC: 4-acetyl-10-(1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-8,9-dihydroxy-3-methyl-4H-anthracen-1-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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