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Substance Name: Oleficin
RN: 12764-54-4
InChIKey: HAZLQDHRVYLCDC-FBUPINBZSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C34-H47-N-O9

Molecular Weight

  • 613.743
 
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Names and Synonyms

Name of Substance

  • Oleficin

Synonym

  • Oleficin

Systematic Name

  • 1H-Pyrrole-2-propanoic acid, 2,5-dihydro-4-(15-((2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14,16-trimethyl-1-oxo-2,4,6,8,10,12-heptadecahexaenyl)-3-hydroxy-1-methyl-5-oxo-

Registry Numbers

CAS Registry Number

  • 12764-54-4

System Generated Number

  • 0012764544

Structure Descriptors

InChI

1S/C34H47NO9/c1-21(2)33(44-29-20-27(37)31(40)24(5)43-29)23(4)19-22(3)15-13-11-9-7-8-10-12-14-16-26(36)30-32(41)25(17-18-28(38)39)35(6)34(30)42/h7-16,19,21,23-25,27,29,31,33,37,40-41H,17-18,20H2,1-6H3,(H,38,39)/b8-7+,11-9+,12-10+,15-13+,16-14+,22-19+/t23?,24-,25?,27+,29-,31-,33?/m1/s1

InChIKey

HAZLQDHRVYLCDC-FBUPINBZSA-N

Smiles

N1([C@@H](C(=C(C1=O)C(\C=C\C=C\C=C\C=C\C=C\C(=C\[C@@H]([C@@H](C(C)C)O[C@@H]1C[C@H](O)[C@H](O)[C@H](O1)C)C)C)=O)O)CCC(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Journal of Antibiotics. Vol. 24, Pg. 277, 1971.