Chem
J-GLOBAL ID：200907038383430523   Nikkaji number：J134.047F

Milbemycin D

ミルベマイシンD
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： C33H48O7
Molecular formula furigana： C33-H48-O7
Molecular weight： 556.740
InChI： InChI=1S/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7+,21-10?,24-9+/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1
InChI key： BWCRYQGQPDBOAU-WHBGNQJASA-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]4[C@H](O)C(=C[C@@H](C(=O)O1)[C@]34O)C)O2
Systematic name  (3)：
  • (6R,25R)-5-O-デメチル-28-デオキシ-6,28-エポキシ-25-(1-メチルエチル)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,21'R,24'S)-21',24'-ジヒドロキシ-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,21'R,24'S)-21',24'-dihydroxy-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 (6)：
  • Milbemycin D
  • B-41D
  • Antibiotic B-41D
  • ミルベマイシンD
  • 抗生物質B-41D
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CAS registry number： 77855-81-3
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