basic_info |
|
| Product_Name： | BUTYROLACTONE I |
| CAS： | 87414-49-1 |
| EnglishSynonyms： | BUTYROLACTONE I |
| pro_mdlNumber： | MFCD03453074 |
| pro_acceptors： | 7 |
| pro_donors： | 3 |
| pro_smile： | CC(=CCc1cc(ccc1O)CC2(C(=C(C(=O)O2)O)c3ccc(cc3)O)C(=O)OC)C |
| InChi： | InChI=1S/C24H24O7/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-24(23(29)30-3)20(21(27)22(28)31-24)16-7-9-18(25)10-8-16/h4-5,7-12,25-27H,6,13H2,1-3H3 |
| InChiKey： | InChIKey=NGOLMNWQNHWEKU-UHFFFAOYSA-N |
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