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Substance Name: X 14667B
RN: 75761-61-4
InChIKey: YCQYVMAXZSDMGK-KEJRLLKVSA-N

Note

  • Has phenylurethane moiety at C-26.

Molecular Formula

  • C45-H71-N-O12

Molecular Weight

  • 818.0509
 
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Names and Synonyms

Name of Substance

  • X 14667B

Synonyms

  • Antibiotic X-14667B
  • X-14667B

Systematic Name

  • Monensin, 26-((2-phenylethyl)carbamate)

Registry Numbers

CAS Registry Number

  • 75761-61-4

System Generated Number

  • 0075761614

Structure Descriptors

InChI

1S/C45H71NO12/c1-10-43(18-16-35(55-43)42(8)19-20-44(58-42)24-33(47)29(5)38(56-44)30(6)37(52-9)31(7)40(48)49)39-27(3)23-34(54-39)36-26(2)22-28(4)45(51,57-36)25-53-41(50)46-21-17-32-14-12-11-13-15-32/h11-15,26-31,33-39,47,51H,10,16-25H2,1-9H3,(H,46,50)(H,48,49)/t26-,27-,28+,29+,30-,31?,33-,34+,35+,36+,37+,38-,39+,42-,43-,44+,45-/m0/s1

InChIKey

YCQYVMAXZSDMGK-KEJRLLKVSA-N

Smiles

CC[C@]1(CC[C@@H](O1)[C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@H](O3)[C@@H](C)[C@@H](OC)C(C)C(=O)O)O2)[C@@H]4O[C@H](C[C@@H]4C)[C@@H]5O[C@@](O)(COC(=O)NCCc6ccccc6)[C@H](C)C[C@@H]5C