119302-19-1 ((2a,3a,5a,16b,17b)-2,3-环氧-16-(1-吡咯烷基)雄甾烷-17-醇,2a,3a-Epoxy-16b-(1-pyrrolidinyl)-5a-androstan-17b-ol)

CAS号:
119302-19-1
中文名称:
(2a,3a,5a,16b,17b)-2,3-环氧-16-(1-吡咯烷基)雄甾烷-17-醇
英文名称:
2a,3a-Epoxy-16b-(1-pyrrolidinyl)-5a-androstan-17b-ol
分子式:
C23H37NO2
分子量:
359.545387029648

(2a,3a,5a,16b,17b)-2,3-环氧-16-(1-吡咯烷基)雄甾烷-17-醇(119302-19-1)名称与标识符

名称

中文别名:
(2a,3a,5a,16b,17b)-2,3-环氧-16-(1-吡咯烷基)雄甾烷-17-醇;罗库溴铵中间体6;(2Β,3Α,16Β,17Β)-16(1-四氢吡咯基)-5Α雄甾-17醇;2,3??环氧?16??(1-吡咯基)-5-雄甾-17??醇;雄甾-17-醇,2,3-环氧-16-(1-吡咯烷基)-,(2A,3A,5A,16B,17B)-(9CI);雄甾-17-醇-2,3-环氧-16-(1-吡咯烷基);雄甾-17-醇, 2,3-环氧-16-(1-吡咯烷基)-, (2A,3A,5A,16B,17B)- (9CI);
英文别名:
2a,3a-Epoxy-16b-(1-pyrrolidinyl)-5a-androstan-17b-ol;(2a,3a,5a,16b,17b)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-ol;(2α,3α,5α,16β,17β)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-ol;2,3-EPOXY-1H-CYCLOPENTA[A]PHENANTHRENE,ANDROSTAN-17-OL DERIV(9CI);Rocuronium Bromide Intermediate VI;(1R,2S,11R,12S,16S)-2,16-diMethyl-14-(pyrrolidin-1-yl)-5-oxapentacyclo[9.7.0.0^{2,8}.0^{4,6}.0^{12,16}]octadecan-15-ol;(2Alpha,3Alpha,5Alpha,16Beta,17Beta)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-ol;2,3-DIFLUORO-4-METHYLPHENYLACETIC ACID;2,3-EPOXY-1H-CYCLOPENTA[A]PHENANTHRENE,ANDROSTA;Androstan-17-ol,2,3-epoxy-16-(1-pyrrolidinyl);ANDROSTAN-17-OL,2,3-EPOXY-16-(1-PYRROLIDINYL)-,(2A,3A,5A,16A,17B)-(9CI);2,3-epoxy-16-(1-pyrrolidinyl)- Androstan-17-ol;2,3-Epoxy-1H-cyclopenta[a]phenanthrene,androstan-17-ol;ANDROSTAN-17-OL, 2,3-EPOXY-16-(1-PYRROLIDINYL)-, (2Α,3Α,5Α,16Β,17Β)-;Androstan-17-dol,2,3:16,17-diepoxy-,acetate, (2a,3a,5a,16b,17b)—(9CI);Androstan-17-ol, 2,3-epoxy-16-(1-pyrrolidinyl);ANDROSTAN-17-OL, 2,3-EPOXY-16-(1-PYRROLIDINYL)-, (2.ALPHA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-;ROCURONIUM IMPURITY 2;UNII-QY44AP6HZH;A848323;OPYVYACKKDTREB-NXECLLCESA-N;2.ALPHA.,3.ALPHA.-EPOXY-16.BETA.-(1-PYRROLIDINYL)-5.ALPHA.-ANDROSTAN-17.BETA.-OL;(2.ALPHA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-2,3-EPOXY-16-(1-PYRROLIDINYL)ANDROSTAN-17-OL;2,3-Epoxy-1H-cyclopenta(a)phenanthrene,androstan-17-ol;AKOS015896060;(2alpha,3alpha,5alpha,16beta,17beta)2,3-epoxy-16-(1-pyrrolidinyl )-androstan-17-ol;Androstan-17-ol, 2,3-epoxy-16-(1-pyrrolidinyl)-, (2alpha,3alpha,5alpha,16beta,17beta)-;QY44AP6HZH;SCHEMBL3837726;Androstan-17-ol, 2,3-epoxy-16-(1-pyrrolidinyl)-, (2,3,5,16,17)-;(1S,2S,4R,6S,8S,11R,12S,14S,15R,16S)-2,16-dimethyl-14-pyrrolidin-1-yl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-ol;(2alpha,3alpha,5alpha,16beta,17beta)-2,3-epoxy-16-(1-pyrrolidinyl)-androstan-17-ol;DTXSID201174294;AC-5925;2alpha,3alpha-epoxy-16beta-(1-pyrrolidinyl)-5alpha-androstane-17beta-ol;119302-19-1;EC 601-593-4;(2alpha,3alpha,5alpha,16beta,17beta)2,3-epoxy-16-(1-pyrrolidinyl)-androstan-17-ol;Androstan-17-ol, 2,3-epoxy-16-(1-pyrrolidinyl)-, (2a,3a,5a,16b,17b)-;2alpha,3alpha-epoxy-16beta-(1-pyrrolidinyl)-5alpha-androstan-17beta-ol;

标识符

InChIKey:
OPYVYACKKDTREB-NXECLLCESA-N
Inchi:
1S/C23H37NO2/c1-22-8-7-16-15(6-5-14-11-19-20(26-19)13-23(14,16)2)17(22)12-18(21(22)25)24-9-3-4-10-24/h14-21,25H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,19-,20+,21-,22-,23-/m0/s1
SMILES:
O1[C@H]2C[C@@H]3CC[C@H]4[C@@H]5C[C@@H]([C@@H]([C@@]5(C)CC[C@@H]4[C@@]3(C)C[C@@H]12)O)N1CCCC1

(2a,3a,5a,16b,17b)-2,3-环氧-16-(1-吡咯烷基)雄甾烷-17-醇(119302-19-1)物化性质

实验特性

  • LogP : 3.77950
  • PSA : 36.00000
  • 折射率 : 1.569
  • 沸点 : 469.6 °C at 760 mmHg
  • 闪点 : 237.8 °C
  • 密度 : 1.143

计算特性

  • 精确分子量 : 359.28200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 359.282
  • 重原子数量 : 26
  • 复杂度 : 589
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 10
  • 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) : 4.4
  • 拓扑分子极性表面积 : 36A^2

(2a,3a,5a,16b,17b)-2,3-环氧-16-(1-吡咯烷基)雄甾烷-17-醇(119302-19-1)推荐厂家 更多厂家(12)

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