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Substance Name: 44-Homooligomycin B
RN: 125616-18-4
InChIKey: VVNFPMGPKYNROA-MZRZIRKFSA-N

Note

  • Isolated from Streptomyces bottropensis.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H74-O12

Molecular Weight

  • 819.079
 
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Names and Synonyms

Name of Substance

  • 44-Homooligomycin B

Synonyms

  • 26-Demethyl-26-ethyl-28-oxooligomycin A
  • 44-Homooligomycin B
  • NK86-O279I

Systematic Name

  • Oligomycin A, 26-demethyl-26-ethyl-28-oxo-

Registry Numbers

CAS Registry Number

  • 125616-18-4

System Generated Number

  • 0125616184

Structure Descriptors

InChI

1S/C46H74O12/c1-12-33-18-16-14-15-17-26(4)43(53)45(11,55)44(54)32(10)41(52)31(9)40(51)30(8)39(50)25(3)19-22-38(49)56-42-29(7)35(21-20-33)57-46(34(42)13-2)37(48)23-27(5)36(58-46)24-28(6)47/h14-16,18-19,22,25-36,39,41-43,47,50,52-53,55H,12-13,17,20-21,23-24H2,1-11H3/b15-14-,18-16-,22-19+/t25-,26+,27-,28+,29?,30-,31-,32-,33-,34-,35-,36-,39+,41+,42+,43-,45+,46+/m0/s1

InChIKey

VVNFPMGPKYNROA-MZRZIRKFSA-N

Smiles

O1[C@@H]2[C@H]([C@H]([C@@H]([C@@]31O[C@@H](C[C@@H](C)O)[C@@H](C)CC3=O)CC)OC(=O)C=C[C@@H]([C@@H](O)[C@@H](C(=O)[C@H](C)[C@@H]([C@@H](C([C@@](C)([C@H]([C@@H](CC=CC=C[C@@H](CC2)CC)C)O)O)=O)C)O)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1670ug/kg (1.67mg/kg)   Journal of Antibiotics. Vol. 45, Pg. 171, 1992.