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Substance Name: Lankacidin C 14-valerate
RN: 51733-45-0
InChIKey: NNTHJHYDULNYBN-AEFKKHODSA-N

Molecular Formula

  • C30-H41-N-O8

Molecular Weight

  • 543.6529
 
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Names and Synonyms

Results Name

  • Lankacidin C 14-valerate

Synonyms

  • BRN 1674022
  • Lankacidin C 14-valerate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 51733-45-0

System Generated Number

  • 0051733450

Structure Descriptors

InChI

1S/C30H41NO8/c1-7-8-9-26(34)38-23-15-12-18(2)10-13-22(33)14-11-19(3)16-25(31-28(36)21(5)32)30(6)27(35)20(4)24(17-23)39-29(30)37/h10-12,14-16,20,22-25,33H,7-9,13,17H2,1-6H3,(H,31,36)/b14-11-,15-12-,18-10-,19-16-/t20-,22+,23-,24-,25-,30+/m1/s1

InChIKey

NNTHJHYDULNYBN-AEFKKHODSA-N

Smiles

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