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| Standard English name | |
|---|---|
| Cas No. | 1223357-64-9 |
| Alias | 1-((2R,3R,4S,5R)-3-(4-(13-(((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-2,5,8,11-tetraoxatridecyl)-1H-1,2,3-triazol-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione |
| Canonical Smiles | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCCOCCOCCOCCOCC1=CN(N=N1)[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)NC1=O |
| MDL No. | |
| Exact Mass | 869.55139 |
| Smiles | OC[C@@H]1[C@H]([C@@H](N2N=NC(COCCOCCOCCOCCO[C@H]3CC[C@]4(C)[C@@]5([H])CC[C@]6(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@]6([H])[C@]5([H])CC=C4C3)=C2)[C@H](N7C(NC(C=C7)=O)=O)O1)O |
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| Inchi | InChI=1S/C47H75N5O10/c1-31(2)7-6-8-32(3)37-11-12-38-36-10-9-33-27-35(13-16-46(33,4)39(36)14-17-47(37,38)5)61-26-25-59-22-21-57-19-20-58-23-24-60-30-34-28-52(50-49-34)42-43(55)40(29-53)62-44(42)51-18-15-41(54)48-45(51)56/h9,15,18,28,31-32,35-40,42-44,53,55H,6-8,10-14,16-17,19-27,29-30H2,1-5H3,(H,48,54,56)/t32-,35+,36+,37-,38+,39+,40-,42-,43-,44-,46+,47-/m1/s1 |
| InchiKey | RBKPZVKXZCUWEX-QVBNBWONSA-N |
| Remark |
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