Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Butanoic acid, 2-((1,2-dioxopropyl)amino)-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo(13.2.2)nonadeca-3,5,9,11-tetraene-7,13-diyl ester, (1S-(1R*,2S*,3E,5E,7R*,9E,11E,13R*,15S*,19S*))-
RN: 51733-49-4
InChIKey: KYCSEMZXXCUSPU-DNUMYZPFSA-N

Molecular Formula

  • C33-H45-N-O9

Molecular Weight

  • 599.7165
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 5-18-12-00135 (Beilstein Handbook Reference)
  • BRN 1675015
  • Lankacidin C 8,14-dibutyrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 51733-49-4

System Generated Number

  • 0051733494

Structure Descriptors

InChI

1S/C33H45NO9/c1-8-10-28(36)41-24-15-12-20(3)13-17-25(42-29(37)11-9-2)19-26-22(5)30(38)33(7,32(40)43-26)27(18-21(4)14-16-24)34-31(39)23(6)35/h12-14,16-18,22,24-27H,8-11,15,19H2,1-7H3,(H,34,39)/b16-14-,17-13-,20-12-,21-18-/t22-,24+,25-,26-,27-,33+/m1/s1

InChIKey

KYCSEMZXXCUSPU-DNUMYZPFSA-N

Smiles

CCCC(=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)OC(=O)CCC)/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.