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Substance Name: Milbemycin A3 5-oxime
RN: 114177-14-9
UNII: 053YPP1I9C
InChIKey: VDBGCWFGLMXRIK-FJZHFHHPSA-N

Molecular Formula

  • C31-H43-N-O7

Molecular Weight

  • 541.6807
 
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Names and Synonyms

Name of Substance

  • Milbemycin A3 5-oxime

Synonyms

  • (6R,25R)-5-Demethoxy-28-deoxy-6,28-epoxy-5-(hydroxyimino)-25-methylmilbemycin B
  • Milbemycin A3 5-oxime
  • Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-5-(hydroxyimino)-25-methyl-, (6R,25R)-
  • UNII-053YPP1I9C

Registry Numbers

CAS Registry Number

  • 114177-14-9

FDA UNII

  • 053YPP1I9C

System Generated Number

  • 0114177149

Structure Descriptors

InChI

1S/C31H43NO7/c1-18-7-6-8-23-17-36-28-27(32-35)21(4)14-26(31(23,28)34)29(33)37-25-15-24(10-9-19(2)13-18)39-30(16-25)12-11-20(3)22(5)38-30/h6-9,14,18,20,22,24-26,28,34-35H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+,32-27?/t18-,20-,22+,24+,25-,26-,28+,30-,31+/m0/s1

InChIKey

VDBGCWFGLMXRIK-FJZHFHHPSA-N

Smiles

C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C(C5=NO)C)C(=O)O3)O)C)\C)O[C@@H]1C