5668-07-5 (5.α.-Androstan-11.β.-ol, 17.β.-amino-,5.α.-androstan-11.β.-ol, 17.β.-amino-)

CAS号:
5668-07-5
中文名称:
5.α.-Androstan-11.β.-ol, 17.β.-amino-
英文名称:
5.α.-androstan-11.β.-ol, 17.β.-amino-
分子式:
C19H33NO
分子量:
291.471425771713

5.α.-Androstan-11.β.-ol, 17.β.-amino-(5668-07-5)名称与标识符

名称

中文别名:
5.α.-Androstan-11.β.-ol, 17.β.-amino-;
英文别名:
5.α.-androstan-11.β.-ol, 17.β.-amino-;NSC92345;10,13-dimethyl-17-(prop-2-en-1-yl)-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl acetate(non-preferred name);AC1L63P2;10,13-dimethyl-17-(prop-2-en-1-yl)-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate (non-preferred name);AR-1C0058;AC1Q62FU;NSC92345; 10,13-dimethyl-17-(prop-2-en-1-yl)-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl acetate(non-preferred name); AC1L63P2; 10,13-dimethyl-17-(prop-2-en-1-yl)-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate (non-preferred name); AR-1C0058; AC1Q62FU;;(5R,8S,9S,10S,11S,13S,14S,17S)-17-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-ol;17-Amino-5alpha-androstan-11-ol;17-Aminoandrostan-11-ol;NSC-60795;5668-07-5;Androstan-11-ol, 17-amino-, (5alpha,11beta,17beta)-;CHEBI:79858;Q27148996;Androstan-11-ol, (5.alpha.,11.beta.,17.beta.)-;17beta-Amino-5alpha-androstan-11beta-ol;NSC60795;DTXSID50972127;17-AMINO-5.ALPHA.-ANDROSTAN-11-OL;17-.beta.-Amino-5-.alpha.-androstan-11-.beta.-ol;5.alpha.-Androstan-11.beta.-ol, 17.beta.-amino-;8J841HG5LR;17.beta.-Amino-5.alpha.-androstan-11.beta.-ol;Androstan-11-ol, 17-amino-, (5.alpha.,11.beta.,17.beta.)-;5alpha-Androstan-11beta-ol, 17beta-amino-;5alpha-Androstan-11-ol, 17-amino-;5.ALPHA.-ANDROSTAN-11-OL, 17-AMINO-;UNII-8J841HG5LR;

标识符

InChIKey:
OMKYOYBEVIPBMI-YISWTCPOSA-N
Inchi:
1S/C19H33NO/c1-18-10-4-3-5-12(18)6-7-13-14-8-9-16(20)19(14,2)11-15(21)17(13)18/h12-17,21H,3-11,20H2,1-2H3/t12-,13+,14+,15+,16+,17-,18+,19+/m1/s1
SMILES:
O[C@H]1C[C@]2(C)[C@H](CC[C@H]2[C@@H]2CC[C@H]3CCCC[C@]3(C)[C@H]21)N

5.α.-Androstan-11.β.-ol, 17.β.-amino-(5668-07-5)物化性质

实验特性

  • LogP : 4.41760
  • PSA : 46.25
  • 折射率 : 1.536
  • 沸点 : 402.8°C at 760 mmHg
  • 闪点 : 197.4°C
  • 密度 : 1.045

计算特性

  • 精确分子量 : 291.25639
  • 氢键供体数量 : 2
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 291.256215
  • 重原子数量 : 21
  • 复杂度 : 424
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 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) : 4.5
  • 拓扑分子极性表面积 : 46.2