basic_info |
|
| Product_Name： | ISOVALTRATE/VALTRATE |
| CAS： | 31078-10-1 |
| EnglishSynonyms： | ISOVALTRATE/VALTRATE |
| pro_mdlNumber： | MFCD04117934 |
| pro_acceptors： | 8 |
| pro_donors： | 0 |
| pro_smile： | CC(C)CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]23CO3)OC(=O)C)OC(=O)CC(C)C.CC(C)CC(=O)O[C@H]1C=C2[C@@H]([C@@]13CO3)[C@@H](OC=C2COC(=O)C)OC(=O)CC(C)C |
| InChi： | InChI=1S/2C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22;1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h2*8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t2*17-,20+,21-,22+/m00/s1 |
| InChiKey： | InChIKey=ALRBCPXCQZGVSL-JSHYERLKSA-N |
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