5-孕烷-3Β-醇-20-酮-16Α-腈(1434-54-4)红外图谱(IR2)
分子式:C22H31NO2
分子量: 341.49
InChI:InChI=1/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/s3
InChIKey: VSBHRRMYCDQLJF-MWDBKISHNA-N
Smiles:[C@@]12([H])C[C@@H](C#N)[C@H](C(=O)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H] |&1:0,3,6,10,14,16,20,26,r|