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Substance Name: 4-Deacetyl-4-O-isobutyrylkinamycin C
RN: 120901-49-7
InChIKey: AXAYEQMDEPTHTO-SJIZWNSKSA-N

Note

  • From Saccharothrix.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C26-H24-N2-O10

Molecular Weight

  • 524.48
 
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Names and Synonyms

Name of Substance

  • 4-Deacetyl-4-O-isobutyrylkinamycin C

Synonym

  • 4-Deacetyl-4-O-isobutyrylkinamycin C

Systematic Name

  • Propanoic acid, 2-methyl-, 1,2-bis(acetyloxy)-5-cyano-2,3,4,5,6,11-hexahydro-3,7-dihydroxy-3-methyl-6,11-dioxo-1H-benzo(b)carbazol-4-yl ester, (1S-(1-alpha,2-beta,3-alpha,4-alpha))-

Registry Numbers

CAS Registry Number

  • 120901-49-7

System Generated Number

  • 0120901497

Structure Descriptors

InChI

1S/C26H24N2O10/c1-10(2)25(34)38-23-19-17(22(36-11(3)29)24(26(23,5)35)37-12(4)30)16-18(28(19)9-27)21(33)15-13(20(16)32)7-6-8-14(15)31/h6-8,10,22-24,31,35H,1-5H3/t22-,23+,24?,26-/m0/s1

InChIKey

AXAYEQMDEPTHTO-SJIZWNSKSA-N

Smiles

C(C(C)C)(=O)O[C@H]1[C@]([C@@H]([C@H](c2c3C(c4c(C(c3n(c12)C#N)=O)c(ccc4)O)=O)OC(=O)C)OC(=O)C)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 20mg/kg (20mg/kg)   Journal of Antibiotics. Vol. 42, Pg. 467, 1989.