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Chemical structure of A-39183A

GC42660

A-39183A

Also known as (3S,4S)-4-acetyl-10-[(1S,2S)-1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl]-3,8,9-trihydroxy-3-methyl-2,4-dihydroanthracen-1-one

A-39183A is an active component of the A-39183 antibiotic complex produced by aerobic fermentation of Streptomyces NRRL 12049

ChemicalCAS79426-51-0MW598.6FormulaC34H30O10
CAS number
79426-51-0
Molecular weight
598.6
Formula
C34H30O10
Solubility
DMF： soluble,DMSO： soluble,Ethanol： soluble
InChIKey
HLVSLAAHFAXHHP-ANFUHZJESA-N
Catalogue number
GC42660
Brand
GLPBIO
Computed properties PubChem CID 13229791 · XLogP 4.2 · TPSA 190 Ų · H-bond donors 6
XLogP
4.2
TPSA
190 Ų
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
3
Heavy atoms
44

SMILES CC(=O)[C@H]1C2=C(C3=C(C(=CC=C3)O)C(=C2C(=O)C[C@]1(C)O)O)C4=C5[C@@H]([C@@](CC(=O)C5=C(C6=C4C=CC=C6O)O)(C)O)C(=O)C

Computed descriptors from PubChem (CID 13229791), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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