4-Methyl Estradiol (8R,9S,13S,14S,17S)-4,13-二甲基-7,8,9,11,12,13,14,15,16,17-十氢-6H-环戊烷[a]菲-3,17-二醇 （雌二醇半水合物杂质）

CAS 6171-48-8 MFCD01310742

化学结构图

6171-48-8
SMILES: Cc1c(O)ccc2c1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

化学属性

Mol. FormulaC19H26O2
Mol. Weight286.41
Melting Point218-221 °C
Boiling Point453.3±45.0 °C at 760 mmHg

别名和识别编码

Chemical Name4-Methyl Estradiol
CAS Number6171-48-8
Synonym (8R,9S,13S,14S,17S)-4,13-Dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (Estradiol Hemihydrate Impurity) {LY} (8R,9S,13S,14S,17S)-4,13-Dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (Estradiol Hemihydrate Impurity) {} {LY} (8R,9S,13S,14S,17S)-4,13-Dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (Estradiol Hemihydrate Impurity) {} {} {LY} (8R,9S,13S,14S,17S)-4,13-Dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (Estradiol Hemihydrate Impurity) {} {} {} {LY} (8R,9S,13S,14S,17S)-4,13-Dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (Estradiol Hemihydrate Impurity) {} {} {} {} {LY} (8R,9S,13S,14S,17S)-4,13-Dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (Estradiol Hemihydrate Impurity) {} {} {} {} {} {LY} (8R,9S,13S,14S,17S)-4,13-Dimethyl-7,8,9,11,12,13,14,15
Chemical Name Translation(8R,9S,13S,14S,17S)-4,13-二甲基-7,8,9,11,12,13,14,15,16,17-十氢-6H-环戊烷[a]菲-3,17-二醇 （雌二醇半水合物杂质）
PubChem Substance ID66437
InChIInChI=1S/C19H26O2/c1-11-12-3-4-15-14(13(12)5-7-17(11)20)9-10-19(2)16(15)6-8-18(19)21/h5,7,14-16,18,20-21H,3-4,6,8-10H2,1-2H3/t14-,15-,16+,18+,19+/m1/s1
MDL NumberMFCD01310742
Canonical SMILESC[C@@]12[C@](CC[C@@H]2O)([H])[C@@]3([H])[C@@](CC1)([H])C4=CC=C(O)C(C)=C4CC3
LabNetwork Molecule IDLN01297298
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分类

  • Impurities
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • Steroids

产品应用

  • An impurity of Estradiol (E888000).

相关文献及参考

  • Zhu, B., et al.: Steroids, 70, 225 (2005),
  • Enmark, E., et al.: J. Clin. Endocrinol. Metab., 82, 4258 (1997),

安全信息

Storage condition

系列性分类

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