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| Standard English name | |
|---|---|
| Cas No. | 1000692-11-4 |
| Alias | O-((2R,3S,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl) S-((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) phosphonothioate |
| Canonical Smiles | CC1=CN([C@H]2C[C@H](OP(=O)S[C@@H]3CC4=CC[C@H]5[C@@H]6CC[C@H]([C@H](C)CCCC(C)C)[C@@]6(C)CC[C@@H]5[C@@]4(C)CC3)[C@@H](COC(C3C=CC=CC=3)(C3C=CC(=CC=3)OC)C3C=CC(=CC=3)OC)O2)C(=O)NC1=O |
| MDL No. | |
| Exact Mass | 992.51383 |
| Smiles | O=C(NC(C(C)=C1)=O)N1[C@H](O2)C[C@H](OP(S[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)=O)[C@H]2COC(C7=CC=C(OC)C=C7)(C8=CC=C(OC)C=C8)C9=CC=CC=C9 |
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| Inchi | InChI=1S/C58H77N2O8PS/c1-37(2)13-12-14-38(3)48-27-28-49-47-26-21-43-33-46(29-31-56(43,5)50(47)30-32-57(48,49)6)70-69(63)68-51-34-53(60-35-39(4)54(61)59-55(60)62)67-52(51)36-66-58(40-15-10-9-11-16-40,41-17-22-44(64-7)23-18-41)42-19-24-45(65-8)25-20-42/h9-11,15-25,35,37-38,46-53,69H,12-14,26-34,36H2,1-8H3,(H,59,61,62)/t38-,46+,47+,48-,49+,50+,51+,52-,53-,56+,57-/m1/s1 |
| InchiKey | RIFBJAQCFDLPFW-BGBZXOSNSA-N |
| Remark |
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