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Substance Name: Triacetyldynemicin A
RN: 124425-50-9
InChIKey: HNSQYWDWGNAIDS-UHFFFAOYSA-N

Note

  • Isolated from Micromonospora.

Molecular Formula

  • C36-H25-N-O12

Molecular Weight

  • 651.5775
 
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Names and Synonyms

Name of Substance

  • Triacetyldynemicin A

Synonym

  • (1S-(1R*,4S*,4aS*,14R*,14aR*))-6,8,11-Tris(acetyloxy)-1,4,7,12,13,14-hexahydro-3-methoxy-1-methyl-7,12-dioxo-4a,14a-epoxy-4,14-(3)hexene(1,5)diynonaphtho(2,3-c)phenanthridine-2-carboxylic acid

Systematic Name

  • 4a,14a-Epoxy-4,14-(3)hexene(1,5)diynonaphtho(2,3-c)phenanthridine-2-carboxylic acid, 6,8,11-tris(acetyloxy)-1,4,7,12,13,14-hexahydro-3-methoxy-1-methyl-7,12-dioxo-, (1S-(1R*,4S*,4aS*,14R*,14aR*))-

Registry Numbers

CAS Registry Number

  • 124425-50-9

System Generated Number

  • 0124425509

Structure Descriptors

InChI

1S/C35H25NO12/c1-15(37)45-21-11-12-22(46-16(2)38)26-25(21)30(40)27-23(47-17(3)39)13-20-29(28(27)31(26)41)36-24-10-8-6-5-7-9-19-32(44-4)18(33(42)43)14-34(24)35(19,20)48-34/h11-13,19,24,36H,5-6,14H2,1-4H3,(H,42,43)

InChIKey

HNSQYWDWGNAIDS-UHFFFAOYSA-N

Smiles

CC(=O)Oc1ccc(c2c1C(=O)c3c(cc4c(c3C2=O)NC5C#CCCC#CC6C47C5(O7)CC(=C6OC)C(=O)O)OC(=O)C)OC(=O)C