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Substance Name: Isonovobiocin
RN: 10543-94-9
InChIKey: PPKNHDMYTOBGKD-UHFFFAOYSA-N

Molecular Formula

  • C31-H36-N2-O11

Molecular Weight

  • 612.628
 
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Names and Synonyms

Name of Substance

  • Isonovobiocin

Systematic Name

  • Benzamide, N-(7-((2-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)-

Registry Numbers

CAS Registry Number

  • 10543-94-9

System Generated Number

  • 0010543949

Structure Descriptors

InChI

1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)23(18)42-28(21)38)41-29-25(43-30(32)39)24(40-6)26(36)31(4,5)44-29/h7,9-13,24-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)

InChIKey

PPKNHDMYTOBGKD-UHFFFAOYSA-N

Smiles

C1([C@@H](O)[C@@H]([C@@H]([C@@H](O1)Oc1c(c2c(cc1)c(O)c(c(=O)o2)NC(=O)c1cc(c(cc1)O)C\C=C(/C)C)C)OC(N)=O)OC)(C)C