23477-67-0 (DL-乙基双酮,DL-Ethylgonendione)

DL-乙基双酮(23477-67-0)名称与标识符

名称

中文别名:
DL-乙基双酮;DL-18-甲基-4-雌烯-3,17-二酮;
英文别名:
DL-Ethylgonendione;(+/-)-13-Ethyl-gon-4-ene-3,17-dione;D-Ethylgonendione;13-Ethyl-19-nor-4-androsten-3,17-dion;18-Methyl-4-oestren-3,17-dion;18a-Homo-19-norandrost-4-ene-3,17-dione;13beta-ethylgon-4-en-3,17-dione;Gon-4-ene-3,17-dione, 13-ethyl-, (+/-)-;13-ethyl-gon-4-en-3,17-dione;18-Methylestr-4-ene-3,17-dione;LEVONORGESTREL IMPURITY [EP IMPURITY];DTXSID801020560;LEVODIONE [EP IMPURITY];D-Ethyl gonendione;Ethylgonendione;21800-83-9;SCHEMBL1422567;13-Egedo;18-Methyl-estr-4-ene-3,17-dione;13-ethylgon-4-ene-3,17-dione;18-Methyl-19-norandrost-4-ene-3,17-dione;T72090;(+)-13.BETA.-ETHYLGON-4-ENE-3,17-DIONE;E0921;(8R, 9S, 10R, 13S, 14S)-13-ethyl-1, 2, 6, 7, 8, 9, 10, 11, 12, 14, 15, 16-dodecahydrocyclopenta[a]phenanthrene-3, 17-dione;Levonorgestrel Impurity L (18-Methylester-4-ene-3,17-dione);EC 606-833-1;23477-67-0;Gon-4-ene-3,17-dione, 13-ethyl-;IH07J8F03F;(+)-13-Ethylgon-4-ene-3,17-dione;SBLHOJQRZNGHLQ-ATIFRJIPSA-N;13-Ethyl-gon-4-ene-3,17-dione;13beta-Ethylgon-4-ene-3,17-dione;(3aS,3bR,9aR,9bS,11aS)-11a-ethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-dione;(8R,9S,10R,13S,14S)-13-Ethyl-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione;18-Methylestr-4-en-3,17-dione;13beta-ethyl-gon-4-en-3,17-dione;(3AS,3BR,9AR,9BS,11AS)-11A-ETHYL-2H,3H,3AH,3BH,4H,5H,8H,9H,9AH,9BH,10H,11H-CYCLOPENTA[A]PHENANTHRENE-1,7-DIONE;13-Ethylgon-4-ene-3,17-dione (Levodione; 18-Methyl-19-norandrost-4-ene-3,17-dione);DL-Ethylgonedione;(8R,9S,10R,13S,14S)-13-ethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;UNII-IH07J8F03F;Q-102817;AKOS017343453;MFCD08457890;

标识符

InChIKey:
SBLHOJQRZNGHLQ-ATIFRJIPSA-N
Inchi:
1S/C19H26O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h11,14-17H,2-10H2,1H3/t14-,15+,16+,17-,19-/m0/s1
SMILES:
O=C1CC[C@@H]2[C@]1(CC)CC[C@@H]1[C@H]3CCC(C=C3CC[C@@H]21)=O

DL-乙基双酮(23477-67-0)物化性质

实验特性

  • LogP : 4.08740
  • PSA : 34.14000
  • 沸点 : 415.4 °C at 760 mmHg
  • 闪点 : 176.4 °C
  • 密度 : 1.074

计算特性

  • 精确分子量 : 286.19300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 286.193280068g/mol
  • 重原子数量 : 21
  • 复杂度 : 518
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.8
  • 拓扑分子极性表面积 : 34.1Ų

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