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Substance Name: Pentanoic acid, 2-((1,2-dioxopropyl)amino)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo(13.2.2)nonadeca-3,5,9,11-tetraen-7-yl ester, (1S-(1R*,2S*,3E,5E,7R*,9E,11E,13R*,15S*,19S*))-
RN: 51733-38-1
InChIKey: ZUTLIHPCSVPPAX-IBEBVLNGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H41-N-O8

Molecular Weight

  • 543.6529
 
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Names and Synonyms

Synonyms

  • BRN 1674007
  • Lankacidin C 8-valerate

Systematic Name

  • Pentanoic acid, 2-((1,2-dioxopropyl)amino)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo(13.2.2)nonadeca-3,5,9,11-tetraen-7-yl ester, (1S-(1R*,2S*,3E,5E,7R*,9E,11E,13R*,15S*,19S*))-

Registry Numbers

CAS Registry Number

  • 51733-38-1

System Generated Number

  • 0051733381

Structure Descriptors

InChI

1S/C30H41NO8/c1-7-8-9-26(34)38-23-14-11-18(2)10-13-22(33)17-24-20(4)27(35)30(6,29(37)39-24)25(16-19(3)12-15-23)31-28(36)21(5)32/h10-13,15-16,20,22-25,33H,7-9,14,17H2,1-6H3,(H,31,36)/b13-10-,15-12-,18-11-,19-16-/t20-,22-,23+,24-,25-,30+/m1/s1

InChIKey

ZUTLIHPCSVPPAX-IBEBVLNGSA-N

Smiles

CCCCC(=O)O[C@H]\1C/C=C(\C=C/[C@H](C[C@@H]2[C@H](C(=O)[C@]([C@@H](/C=C(\C=C1)/C)NC(=O)C(=O)C)(C(=O)O2)C)C)O)/C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Journal of Antibiotics. Vol. 26, Pg. 647, 1973.