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Substance Name: Desalaninebenanomicin A
RN: 145660-37-3
InChIKey: ZUGAIHBEYSBXRE-UHFFFAOYSA-N

Note

  • Used to make amino acid analogs of benanomicin A; may have no antibiotic activity by itself.

Molecular Formula

  • C36-H36-O18

Molecular Weight

  • 756.6624
 
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Names and Synonyms

Name of Substance

  • Desalaninebenanomicin A

Synonyms

  • Benanomicin A, desala-
  • Benanomicin A, desalanyl-
  • Desalanylbenanomicin A

Systematic Name

  • Benzo(a)naphthacene-2-carboxylic acid, 5-((6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 145660-37-3

System Generated Number

  • 0145660373

Structure Descriptors

InChI

1S/C36H36O18/c1-9-4-15-21(28(44)18(9)34(48)49)20-13(7-14-22(29(20)45)25(41)12-5-11(50-3)6-16(37)19(12)24(14)40)26(42)32(15)53-36-31(47)33(23(39)10(2)52-36)54-35-30(46)27(43)17(38)8-51-35/h4-7,10,17,23,26-27,30-33,35-39,42-47H,8H2,1-3H3,(H,48,49)

InChIKey

ZUGAIHBEYSBXRE-UHFFFAOYSA-N

Smiles

Cc1cc2c(c(c1C(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OC)C(C2OC6C(C(C(C(O6)C)O)OC7C(C(C(CO7)O)O)O)O)O