977-88-8 (4-[(17-氧代雌甾-1,3,5(10)-三烯-3-基)氧基]-丁腈,4-[(17-oxoestra-1,3,5(10)-trien-3-yl)oxy]-Butanenitrile)

CAS号:
977-88-8
中文名称:
4-[(17-氧代雌甾-1,3,5(10)-三烯-3-基)氧基]-丁腈
英文名称:
4-[(17-oxoestra-1,3,5(10)-trien-3-yl)oxy]-Butanenitrile
分子式:
C22H27NO2
分子量:
337.45528626442

4-[(17-氧代雌甾-1,3,5(10)-三烯-3-基)氧基]-丁腈(977-88-8)名称与标识符

标识符

InChIKey:
LFBNAHBTJGQSAO-JBPLPALLSA-N
Inchi:
1S/C22H27NO2/c1-22-11-10-18-17-7-5-16(25-13-3-2-12-23)14-15(17)4-6-19(18)20(22)8-9-21(22)24/h5,7,14,18-20H,2-4,6,8-11,13H2,1H3/t18-,19-,20+,22+/m1/s1
SMILES:
C(#N)CCCOC1=CC2=C(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2