小分子和化合物库

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  1. 达巴霉素杂质
      规格或纯度 :
    • ≥80%
    CAS号: 102961-72-8        Compound CID : 122177137
    分子式: C₈₃H₈₈Cl₂N₈O₂₉        分子量: 1732.53
    IUPAC Name: 6-[[5,32-dichloro-22-(dimethylamino)-52-[3-(dimethylamino)propylcarbamoyl]-2,26,31,44,49-pentahydroxy-21,35,38,54,56,59-hexaoxo-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36See more
    SMILES: CC(C)CCCCCCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)OC8C(C(C(C(O8)CO)O)O)O)C9=C(C=CC(=C9)C(C(=O)N6)NC(=O)C4NC(=O)C1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)C(C(=O)NC(CC2=CC=C(OSee more
    InChIKey: SNSXACHJXZAERT-UHFFFAOYSA-N
    InChI: 1S/C88H100Cl2N10O28.ClH/c1-38(2)13-10-8-7-9-11-14-61(106)93-69-73(109)75(111)78(86(120)121)128-87(69)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)68-84(118)97-66(80(114)91-25-12-26-99(3See more
  2. 水苏糖 水合物
      规格或纯度 :
    • ≥80%
    CAS号: 54261-98-2        EC号: 207-427-3
    分子式: C24H42O21·xH2O        分子量: 666.58(as Anhydrous)
    IUPAC Name: 2-[[6-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    SMILES: O.OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
    InChIKey: UQZIYBXSHAGNOE-UHFFFAOYSA-N
    InChI: 1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2
  3. 奥利万星二磷酸盐
    CAS号: 192564-14-0
    分子式: C86H103Cl3N10O34P2        分子量: 1989.09
    IUPAC Name: (1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5R,6S)-4-[[4-(4-chlorophenyl)phenyl]meSee more
    SMILES: CC1C(C(CC(O1)OC2C3C(=O)NC(C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)C(C(=O)N3)NC(=O)C6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)OC9C(C(C(C(O9)CO)O)O)OC1CC(C(C(O1)C)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)OC1=C(C=C(C=C1)C(CSee more
    InChIKey: PWTROOMOPLCZHB-BHYQHFGMSA-N
    InChI: 1S/C86H97Cl3N10O26.2H3O4P/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-See more
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