3-Keto Fusidic Acid (Z)-2-((4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-乙酰氧基-11-羟基-4,8,10,14-四甲基-3-氧代十氢-1H-环戊基[a]菲-17(2H,10H,14H)-亚基)-6-甲基庚-5-烯酸 （夫西地酸杂质）

CAS 4680-37-9 MFCD04680379

化学结构图

4680-37-9
SMILES: CC(=O)OC1CC2(C)C(CC(O)C3C4(C)CCC(=O)C(C)C4CCC32C)C1=C(CCC=C(C)C)C(=O)O

化学属性

Mol. Weight514.69
Mol. FormulaC31H46O6
Melting Point193-195 °C
Boiling Point634.3±55.0 °C at 760 mmHg

别名和识别编码

CAS Number4680-37-9
Chemical Name3-Keto Fusidic Acid
Synonym (Z)-2-((4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-Acetoxy-11-hydroxy-4,8,10,14-tetramethyl-3-oxododecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)-6-methylhept-5-enoic acid (Fusidic Acid Impurity) {LY} (Z)-2-((4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-Acetoxy-11-hydroxy-4,8,10,14-tetramethyl-3-oxododecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)-6-methylhept-5-enoic acid (Fusidic Acid Impurity) {} {LY} (Z)-2-((4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-Acetoxy-11-hydroxy-4,8,10,14-tetramethyl-3-oxododecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)-6-methylhept-5-enoic acid (Fusidic Acid Impurity) {} {} {LY} (Z)-2-((4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-Acetoxy-11-hydroxy-4,8,10,14-tetramethyl-3-oxododecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)-6-methylhept-5-enoic acid (Fusidic Acid Impurity) {} {} {} {LY} (Z)-2-((4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-Acetoxy-11-hydroxy-4,8,10,14-tetramethyl-3-oxododecahydro-1H-cyclopenta[a]phenanthren-17(2H
Chemical Name Translation(Z)-2-((4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-乙酰氧基-11-羟基-4,8,10,14-四甲基-3-氧代十氢-1H-环戊基[a]菲-17(2H,10H,14H)-亚基)-6-甲基庚-5-烯酸 （夫西地酸杂质）
PubChem Substance ID75412572
InChIInChI=1S/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-22,24-25,27,34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,24+,25-,27-,29-,30-,31-/m0/s1
MDL NumberMFCD00872092
Canonical SMILESC[C@@]12[C@@]3([C@](C[C@H]([C@@]1([H])[C@@]4([C@@]([C@@H](C(CC4)=O)C)([H])CC2)C)O)([H])/C([C@H](C3)OC(C)=O)=C(C(O)=O)\CC/C=C(C)\C)C
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分类

  • Metabolites & Impurities
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • Steroids

产品应用

  • A metabolite of Fusidic Acid.

相关文献及参考

  • Godtfredsen, W.O., et al.: J. Med. Chem., 9, 15 (1966),
  • Perry, M.J., et al.: J. Antibiot., 36, 1659 (1983),

安全信息

Storage condition

系列性分类

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