13C

(5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE


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Chemical Component Summary

Name(5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE
Identifiers15-chloro-16,18-dihydroxy-3-azabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione
FormulaC17 H20 Cl N O4
Molecular Weight337.798
TypeNON-POLYMER
Isomeric SMILESc1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O
InChIInChI=1S/C17H20ClNO4/c18-16-12-9-11(20)7-5-3-1-2-4-6-8-19-17(23)15(12)13(21)10-14(16)22/h2,4,10,21-22H,1,3,5-9H2,(H,19,23)/b4-2+
InChIKeyVRMUAANRIKUQHN-DUXPYHPUSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count44
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 53488395