31981-44-9 (19-去甲-3,20-二酮-孕甾-4-烯-17-醋酸酯,Gestonoronacetat)

19-去甲-3,20-二酮-孕甾-4-烯-17-醋酸酯(31981-44-9)名称与标识符

名称

中文别名:
19-去甲-3,20-二酮-孕甾-4-烯-17-醋酸酯;诺孕酮醋酸酯;孕诺酮醋酸酯;
英文别名:
Gestonoronacetat;17-Acetoxy-19-norpregn-4-ene-3,20-dione;17-Hydroxy-19-norpregn-4-ene-3,20-dione 17-acetate;(17alpha)-17-acetyl-3-oxoestr-4-en-17-yl acetate;17alpha-Hydroxy-19norprogesterone-17alpha acetate;17alpha-Hydroxy-19-norprogesterone-17alpha acetate;19-Nor-17alpha-hydroxyprogesterone acetate;19-Norpregn-4-ene-3,20-dione, 17-alpha-hydroxy-, acetate;RC89606500;17-Acetoxy-19-norprogesterone;EINECS 250-882-8;(8R,9S,10R,13S,14S,17R)-17-Acetyl-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ylacetate;SCHEMBL10954178;(8R,9S,10R,13S,14S,17R)-17-Acetyl-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate;AKOS015896562;Gestonoronacetate;EC 250-882-8;UNII-D9R4KSN7NA;acetic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester;DTXSID90953874;[(8R,9S,10R,13S,14S,17R)-17-ethanoyl-13-methyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate;17alpha-Acetoxy-19-norprogesterone;19-Norpregn-4-ene-3,20-dione, 17-hydroxy-, acetate;17.ALPHA.-ACETOXY-19-NORPROGESTERONE;BCP17003;[(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate;NS00003690;D9R4KSN7NA;NIOSH/RC8960650;17-Acetyl-3-oxoestr-4-en-17-yl acetate #;MTSLFKWJINJVBO-ZCPXKWAGSA-N;31981-44-9;A821085;17-alpha-Acetoxy-19-norprogesterone;19-Norpregn-4-ene-3,20-dione, 17-(acetyloxy)-;17-alpha-Hydroxy-19-norpregn-4-ene-3,20-dione acetate;Gestonorone acetate;

标识符

MDL:
MFCD08275671
InChIKey:
MTSLFKWJINJVBO-ZCPXKWAGSA-N
Inchi:
1S/C22H30O4/c1-13(23)22(26-14(2)24)11-9-20-19-6-4-15-12-16(25)5-7-17(15)18(19)8-10-21(20,22)3/h12,17-20H,4-11H2,1-3H3/t17-,18+,19+,20-,21-,22-/m0/s1
SMILES:
O(C(C)=O)[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(CC[C@@H]4[C@H]3CC[C@@]21C)=O

19-去甲-3,20-二酮-孕甾-4-烯-17-醋酸酯(31981-44-9)物化性质

实验特性

  • LogP : 4.01910
  • PSA : 60.44000
  • 折射率 : 1.545
  • 沸点 : 490.2±45.0 °C at 760 mmHg
  • 熔点 : 228-230 ºC
  • 蒸气压 : No data available
  • 闪点 : 212.8±28.8 °C
  • 颜色与性状 : No data avaiable
  • 密度 : 1.16

计算特性

  • 精确分子量 : 358.214409
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 358.214409
  • 重原子数量 : 26
  • 复杂度 : 692
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 6
  • 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) : 3.2
  • 拓扑分子极性表面积 : 60.4

19-去甲-3,20-二酮-孕甾-4-烯-17-醋酸酯(31981-44-9)国际标准相关数据

EINECS:
250-882-8

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