小分子和化合物库

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  1. 洋地黄毒苷
    CAS号: 71-63-6        EC号: 200-760-5
    分子式: C41H64O13        分子量: 764.94
    IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13See more
    SMILES: CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O
    InChIKey: WDJUZGPOPHTGOT-XUDUSOBPSA-N
    InChI: 1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22See more
  2. 5-Me-2'-OMe-C(Bz) 亚磷酰胺单体
    CAS号: 166593-57-3
    分子式: C48H56N5O9P        分子量: 877.98
    IUPAC Name: N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
    SMILES: CC1=CN(C(=O)N=C1NC(=O)C2=CC=CC=C2)C3C(C(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)OC
    InChIKey: GIWYLFDPXKHBKT-AENBYTAOSA-N
    InChI: 1S/C48H56N5O9P/c1-32(2)53(33(3)4)63(60-29-15-28-49)62-42-41(61-46(43(42)58-8)52-30-34(5)44(51-47(52)55)50-45(54)35-16-11-9-12-17-35)31-59-48(36-18-13-10-14-19-36,37-20-24-39(56-6)25-21-37)38-22-26-40(See more
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