basic_info |
|
| Product_Name： | MC 1046 |
| CAS： | 126860-83-1 |
| EnglishSynonyms： | MC 1046 |
| pro_mdlNumber： | MFCD00872035 |
| pro_acceptors： | 3 |
| pro_donors： | 2 |
| pro_smile： | C[C@H](/C=C/C(=O)C1CC1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C |
| InChi： | InChI=1S/C27H38O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-24,26,28,30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,26+,27-/m1/s1 |
| InChiKey： | InChIKey=KKDBQSPKXAUHPH-NRCQPIEOSA-N |
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