雌三醇(50-27-1)红外图谱(IR1)
InChI:InChI=1/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/s3
InChIKey: PROQIPRRNZUXQM-YOAHJFKGNA-N
Smiles:[C@@]12([H])C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3C=CC(O)=CC=3CC[C@@]21[H] |&1:0,3,5,7,11,22,r|