Chemical Compound

Benanomicin A 4'''-sulfate

CAS Registry Number 139501-89-6
Benanomicin A 4'''-sulfate chemical structure
Primary Record

Benanomicin A 4'''-sulfate

In stock
1,856 g
Purity
98.2 %
CAS
139501-89-6

Compound Identifiers & Properties

CAS
139501-89-6
PubChem CID
3071986
SMILES
CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)C(=O)[O-])C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(CO7)OS(=O)(=O)[O-])O)O)O.[Na+].[Na+]
Canonical SMILES
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(C)C(=O)[O-])c1O)C(OC1OC(C)C(O)C(OC4OCC(OS(=O)(=O)[O-])C(O)C4O)C1O)C3O)C2=O.[Na+].[Na+]

Names & Synonyms

  • Benanomicin A 4'''-sulfate
  • AC1MIKUX
  • RefChem:320993
  • C39H39NO22S.2Na
  • C39-H39-N-O22-S.2Na
  • CID3071986
  • 139501-89-6
  • D-Alanine, N-((5-((6-deoxy-3-O-(4-O-sulfo-beta-D-xylopyranosyl)-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, disodium salt, (5S-trans)-
  • disodium 2-[[5-[4-(3,4-dihydroxy-5-sulfonatooxyoxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoate