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Substance Name: Oligomycin B
RN: 11050-94-5
UNII: 387OE420H7
InChIKey: QPRQJOHKNJIMGN-WVUAJZTGSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C45-H72-O12

Molecular Weight

  • 805.0518
 
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Names and Synonyms

Name of Substance

  • Oligomycin B

Synonyms

  • BRN 5705502
  • EINECS 234-275-5
  • Oligomycin B
  • UNII-387OE420H7

Systematic Names

  • Oligomycin A, 28-oxo-
  • Oligomycin B

Registry Numbers

CAS Registry Number

  • 11050-94-5

FDA UNII

  • 387OE420H7

System Generated Number

  • 0011050945

Structure Descriptors

InChI

1S/C45H72O12/c1-12-33-17-15-13-14-16-25(3)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)24(2)18-21-37(48)55-41-28(6)34(20-19-33)56-45(32(41)10)36(47)22-26(4)35(57-45)23-27(5)46/h13-15,17-18,21,24-35,38,40-42,46,49,51-52,54H,12,16,19-20,22-23H2,1-11H3/b14-13+,17-15+,21-18+/t24-,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35-,38+,40+,41+,42-,44+,45+/m0/s1

InChIKey

QPRQJOHKNJIMGN-WVUAJZTGSA-N

Smiles

CC[C@@H]1CC[C@@H]2O[C@@]3(O[C@@H](C[C@@H](C)O)[C@@H](C)CC3=O)[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@](C)(O)[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 2900ug/kg (2.9mg/kg)   Journal of the American Chemical Society. Vol. 80, Pg. 6092, 1958.