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Substance Name: Butanoic 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- (1S-(1R*,2S*,3E,5E,7R*,9E,11E,13R*,15S*,19S*))-
RN: 51733-36-9
InChIKey: YQIYFIXQQXMEFM-ZRPSASAOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H39-N-O8

Molecular Weight

  • 529.6261
 
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Names and Synonyms

Synonyms

  • 5-18-12-00135 (Beilstein Handbook Reference)
  • BRN 1673836
  • Lankacidin C 8-butyrate

Systematic Name

  • Butanoic 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- (1S-(1R*,2S*,3E,5E,7R*,9E,11E,13R*,15S*,19S*))-

Registry Numbers

CAS Registry Number

  • 51733-36-9

System Generated Number

  • 0051733369

Structure Descriptors

InChI

1S/C29H39NO8/c1-7-8-25(33)37-22-13-10-17(2)9-12-21(32)16-23-19(4)26(34)29(6,28(36)38-23)24(15-18(3)11-14-22)30-27(35)20(5)31/h9-12,14-15,19,21-24,32H,7-8,13,16H2,1-6H3,(H,30,35)/b12-9-,14-11-,17-10-,18-15-/t19?,21-,22+,23-,24-,29+/m1/s1

InChIKey

YQIYFIXQQXMEFM-ZRPSASAOSA-N

Smiles

CCCC(=O)O[C@H]\1C/C=C(\C=C/[C@H](C[C@@H]2C(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.