Chem
J-GLOBAL ID:200907048432284177   Nikkaji number:J514.900B

5-Hydroxyimino-5-deoxymilbemycin A3

5-ヒドロキシイミノ-5-デオキシミルベマイシンA3
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C31H43NO7
Molecular formula furigana: C31-H43-N-O7
Molecular weight: 541.685
InChI: 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
InChI key: VDBGCWFGLMXRIK-AOUACQJYSA-N
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@@H](CC=C(C)C[C@@H](C)/C=C/C=C/4\CO[C@@H]5C(=NO)C(=C[C@@H](C(=O)O3)[C@]45O)C)O2)O[C@@H]1C
Systematic name  (3):
  • (6R,25R)-5-デメトキシ-5-(ヒドロキシイミノ)-28-デオキシ-6,28-エポキシ-25-メチルミルベマイシンB
  • (1'R,2R,4'S,5S,6R,8'R,13'R,14'E,16'E,20'R,24'S)-24'-ヒドロキシ-21'-(ヒドロキシイミノ)-5,6,11',13',22'-ペンタメチル-3',7',19'-トリオキサスピロ[オキサン-2,6'-テトラシクロ[15.6.1.14,8.020,24]ペンタコサン]-10',14',16',22'-テトラエン-2'-オン
  • (1'R,2R,4'S,5S,6R,8'R,13'R,14'E,16'E,20'R,24'S)-24'-hydroxy-21'-(hydroxyimino)-5,6,11',13',22'-pentamethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-one
Other name (3):
  • 5-ヒドロキシイミノ-5-デオキシミルベマイシンA3
  • 5-Hydroxyimino-5-deoxymilbemycin A3
  • (6R,25R)-5-Demethoxy-5-(hydroxyimino)-28-deoxy-6,28-epoxy-25-methylmilbemycin B
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