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SMILES: C1[C@H](CC2=CC([C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@H]1C(=O)C)C)Br)OC(=O)C Canonical SMILES: CC(=O)O[C@@H]1CC[C@]2(C(=CC([C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2C(=O)C)C)Br)C1)C InChI: InChI=1S/C23H33BrO3/c1-13(25)17-5-6-18-21-19(8-10-23(17,18)4)22(3)9-7-16(27-14(2)26)11-15(22)12-20(21)24/h12,16-21H,5-11H2,1-4H3/t16-,17-,18+,19+,20?,21+,22+,23-/m1/s1 InChIKey: XBASGDGJPXJCNL-QONKENNESA-N
CBID:162741 http://www.chembase.cn/molecule-162741.html