21-乙酸肾上腺酮(1173-26-8)红外图谱(IR2)
InChI:InChI=1/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16-,17-,18+,19-,21+,22-,23-/s3
InChIKey: WKQCPUMQBMFPLC-JOIAYRPDNA-N
Smiles:C[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](C(=O)COC(=O)C)[C@@]3(C)C[C@H](O)[C@]21[H] |&1:1,10,12,16,24,27,29,r|