6-Dehydro Prednisolone (8S,9S,10R,11S,13S,14S,17R)-11,17-二羟基-17-(2-羟基乙酰基)-10,13-二甲基-8,9,10,11,12,13,14, 15,16,17-十氢-3H-环戊烷[a]菲-3-酮 （甲泼尼松龙杂质）

CAS 2427-64-7 MFCD02427647

化学结构图

2427-64-7
SMILES: CC12C=CC(=O)C=C1C=CC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO

化学属性

Mol. Weight358.43
Mol. FormulaC21H26O5
Melting Point218-222 °C
Boiling Point590.8±50.0 °C at 760 mmHg

别名和识别编码

CAS Number2427-64-7
Chemical Name6-Dehydro Prednisolone
Synonym (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (Prednisolone Impurity) {LY} (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (Prednisolone Impurity) {} {LY} (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (Prednisolone Impurity) {} {} {LY} (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (Prednisolone Impurity) {} {} {} {LY} (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (Prednisolone Impurity) {} {} {} {} {LY} (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hyd
Chemical Name Translation(8S,9S,10R,11S,13S,14S,17R)-11,17-二羟基-17-(2-羟基乙酰基)-10,13-二甲基-8,9,10,11,12,13,14, 15,16,17-十氢-3H-环戊烷[a]菲-3-酮 （甲泼尼松龙杂质）
PubChem Substance ID224451
InChIInChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h3-5,7,9,14-16,18,22,24,26H,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
MDL NumberMFCD22683755
Canonical SMILESC[C@@]12[C@](CC[C@]2(O)C(CO)=O)([H])[C@@]3([H])[C@@]([C@H](C1)O)([H])[C@@]4(C(C=C3)=CC(C=C4)=O)C
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分类

  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • Steroids

产品应用

  • A metabolite of Prednisone (P703780).

相关文献及参考

  • Watkins, P., et al.: Clin. Pharmacol. Ther., 52, 265

安全信息

Storage condition

系列性分类

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