InChIKey | ZYTXTXAMMDTYDQ-LXKQWSSSSA-N |
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Inchi | InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13?,16?,18?,20?,21?,22-/m0/s1 |
SMILES | OCC([C@]1(C(C)CC2C3CCC4=CC(C=CC4(C)C3=CCC12C)=O)O)=O |
LogP | 2.75290 |
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PSA | 74.60000 |
精确分子量 | 356.19900 |
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SMILES
OCC(=O)[C@]1(O)C2(C)C(CC1C)C3C(=CC2)C4(C)C(=CC(=O)C=C4)CC3