Chem
J-GLOBAL ID：200907001066383535   Nikkaji number：J423.398K

5-Ketomilbemycin D 5-oxime

5-ケトミルベマイシンD5-オキシム
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： C33H47NO7
Molecular formula furigana： C33-H47-N-O7
Molecular weight： 569.739
InChI： InChI=1S/C33H47NO7/c1-19(2)29-22(5)12-13-32(41-29)17-26-16-25(40-32)11-10-21(4)14-20(3)8-7-9-24-18-38-30-28(34-37)23(6)15-27(31(35)39-26)33(24,30)36/h7-10,15,19-20,22,25-27,29-30,36-37H,11-14,16-18H2,1-6H3/b8-7+,21-10?,24-9+,34-28?/t20-,22-,25+,26-,27-,29+,30+,32+,33+/m0/s1
InChI key： DXURXTOWLSHVBO-XBNZZVHUSA-N
SMILES： CC(C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C[C@@H](C)/C=C/C=C/3\CO[C@@H]4C(=NO)C(=C[C@@H](C(=O)O1)[C@]34O)C)O2
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-イソプロピルミルベマイシン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)-5,11',13',22'-テトラメチル-6-(プロパン-2-イル)-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)-5,11',13',22'-tetramethyl-6-(propan-2-yl)-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-ケトミルベマイシンD5-オキシム
  • 5-Ketomilbemycin D 5-oxime
  • (6R,25R)-5-Demethoxy-5-hydroxyimino-28-deoxy-6,28-epoxy-25-isopropylmilbemycin B
Thsaurus map：
Thesaurus Map

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