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HIT214318089
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HIT214318089
  • HIT ID:HIT214318089
  • Cas No:21238-30-2
  • 常用名:Carbomycin B
  • 别名:Magnamycin B
  • IUPAC:(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,11Z,13E,16R)-4-(acetyloxy)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate
    IUPAC:(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,11Z,13E,16R)-4-(acetyloxy)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate
  • InChI key:ZRNXEMIDBIPJDC-PFKPXKCISA-N
  • 分子式:C42H67NO15
  • 分子量:825.99
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C/C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C)OC(C)=O |c:13,t:11|
    SMILES:CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C/C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C)OC(C)=O |c:13,t:11|
  • Carbomycin B is an intermediate in the synthesis of Carbomycin. Carbomycin is a macrolite antibiotic complex produced by Stroptomyces halstedii, that is similar to Leucomycin and Erythromycin.
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