basic_info |
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Product_Name: | DATISCOSIDE |
CAS: | 16310-92-2 |
EnglishSynonyms: | DATISCOSIDE |
pro_mdlNumber: | MFCD00198031 |
pro_acceptors: | 12 |
pro_donors: | 4 |
pro_smile: | C[C@@H]1[C@@H](C(=O)[C@@H]([C@@H](O1)O[C@@H]2C[C@]3([C@@H]4CC=C5[C@H]([C@@]4(C(=O)C[C@@]3([C@H]2[C@](C)(C(=O)/C=C/C(C)(C)O)O)C)C)C[C@@H](C(=O)C5(C)C)O)C)OC(=O)C)O |
InChi: | InChI=1S/C38H54O12/c1-18-27(43)28(44)29(49-19(2)39)32(48-18)50-23-16-35(7)24-12-11-20-21(15-22(40)31(45)34(20,5)6)37(24,9)26(42)17-36(35,8)30(23)38(10,47)25(41)13-14-33(3,4)46/h11,13-14,18,21-24,27,29-30,32,40,43,46-47H,12,15-17H2,1-10H3/b14-13+/t18-,21-,22+,23-,24+,27+,29+,30+,32+,35+,36-,37+,38+/m1/s1 |
InChiKey: | InChIKey=RRPAPBCRZGEXTR-MKWNSCLYSA-N |
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