basic_info |
|
| Product_Name： | 12-ACETOXYABIETIC ACID |
| CAS： | 83905-81-1 |
| EnglishSynonyms： | 12-ACETOXYABIETIC ACID |
| pro_mdlNumber： | MFCD17214877 |
| pro_acceptors： | 4 |
| pro_donors： | 1 |
| pro_smile： | CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2C[C@@H]1OC(=O)C)(CCC[C@@]3(C)C(=O)O)C |
| InChi： | InChI=1S/C22H32O4/c1-13(2)16-11-15-7-8-19-21(4,9-6-10-22(19,5)20(24)25)17(15)12-18(16)26-14(3)23/h7,11,13,17-19H,6,8-10,12H2,1-5H3,(H,24,25)/t17-,18-,19+,21+,22+/m0/s1 |
| InChiKey： | InChIKey=FSSCSAJMAPLBRB-JIWOIOHBSA-N |
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