basic_info |
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Product_Name: | 3-O-(3',3'-DIMETHYLSUCCINYL)BETULINIC ACID |
CAS: | 174022-42-5 |
EnglishSynonyms: | 3-O-(3',3'-DIMETHYLSUCCINYL)BETULINIC ACID |
pro_mdlNumber: | MFCD00954243 |
pro_acceptors: | 6 |
pro_donors: | 2 |
pro_smile: | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)C(=O)O |
InChi: | InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1 |
InChiKey: | InChIKey=YJEJKUQEXFSVCJ-WRFMNRASSA-N |
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