32345-19-0 (Stigmasta-5,22-dien-3-ol,Stigmasta-5,22-dien-3-ol)

Stigmasta-5,22-dien-3-ol(32345-19-0)名称与标识符

名称

中文别名:
Stigmasta-5,22-dien-3-ol;
英文别名:
Stigmasta-5,22-dien-3-ol;CTK1H1305;AC1L6QS0;NSC167404;22,23-Dibromostigmast-5-en-3-yl acetate;22,23-Dibromostigmasterol acetate;STIGMASTERYL ACETATE DIBROMIDE;Stigmasterin;[17-(3,4-dibromo-5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;CTK1H1305; AC1L6QS0; NSC167404; 22,23-Dibromostigmast-5-en-3-yl acetate; 22,23-Dibromostigmasterol acetate; STIGMASTERYL ACETATE DIBROMIDE; Stigmasterin; [17-(3,4-dibromo-5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;;32345-19-0;NS00006187;SY037152;17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;Stigmasta-5,22-dien-3-ol, (3b,22E)-;DB-056719;

标识符

InChIKey:
HCXVJBMSMIARIN-UHFFFAOYSA-N
Inchi:
1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3
SMILES:
OC1CCC2(C)C(C1)=CCC1C2CCC2(C)C(C(C=CC(CC)C(C)C)C)CCC21

Stigmasta-5,22-dien-3-ol(32345-19-0)物化性质

计算特性

  • 精确分子量 : 412.370516150g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 5
  • 同位素质量 : 412.370516150g/mol
  • 重原子数量 : 30
  • 复杂度 : 674
  • 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 : 9
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 1
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 8.6
  • 拓扑分子极性表面积 : 20.2Ų