(2S,3R,4S,6R)-4-(dimethylamino)-2-(((3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-11-((3-(tributylstannyl)prop-2-yn-1-yl)oxy)tetradecahydro-1H-[1]oxacyclotetradecino[4,3-d]oxazol-10-yl)oxy)-6-methyltetrahydro-2H-pyran-3-yl benzoate
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Basic information
GHS | |
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Exact Mass | 1,030.49406 |
Smiles | C[C@@]12[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@H]3[C@H](OC(C4=CC=CC=C4)=O)[C@@H](N(C)C)C[C@@H](C)O3)[C@](C)(OCC#C[Sn](CCCC)(CCCC)CCCC)C[C@@H](C)C(=O)[C@H](C)[C@@]1([H])NC(=O)O2 |
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Canonical Smiles | C[C@]1(C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@@H]([C@H]1OC(=O)C1C=CC=CC=1)N(C)C)OCC#C[Sn](CCCC)(CCCC)CCCC |
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Inchi | InChI=1S/C40H55N2O11.3C4H9.Sn/c1-12-19-48-39(8)21-22(3)30(43)24(5)33-40(9,53-38(47)41-33)29(13-2)50-35(45)26(7)31(44)25(6)34(39)52-37-32(28(42(10)11)20-23(4)49-37)51-36(46)27-17-15-14-16-18-27;3*1-3-4-2;/h14-18,22-26,28-29,32-34,37H,13,19-21H2,2-11H3,(H,41,47);3*1,3-4H2,2H3;/t22-,23-,24+,25+,26-,28+,29-,32-,33-,34-,37+,39-,40-;;;;/m1..../s1 |
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InchiKey | UCDGOZGBQQBLFM-AMWLWIGDSA-N |
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