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Substance Name: Oligomycin C
RN: 11052-72-5
UNII: 4F7MA81184
InChIKey: CMMLZMMKTYEOKV-RDKHTNMBSA-N

Classification Code

  • Natural Product

Molecular Formulas

  • C28-H46-O6
  • C45-H74-O10

Molecular Weight

  • 775.0696
 
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Names and Synonyms

Name of Substance

  • Oligomycin C

Synonyms

  • EINECS 234-276-0
  • UNII-4F7MA81184

Systematic Names

  • Oligomycin A, 12-deoxy-
  • Oligomycin C

Registry Numbers

CAS Registry Number

  • 11052-72-5

FDA UNII

  • 4F7MA81184

System Generated Number

  • 0011052725

Structure Descriptors

InChI

1S/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40+,43-,44+,45-/m0/s1

InChIKey

CMMLZMMKTYEOKV-RDKHTNMBSA-N

Smiles

CC[C@@H]1CC[C@@H]2O[C@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)[C@@H](C)[C@H](OC(=O)\C=C\[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)C\C=C\C=C\1)[C@@H]2C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 8300ug/kg (8.3mg/kg)   Journal of the American Chemical Society. Vol. 80, Pg. 6092, 1958.