小分子和化合物库

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  1. 硫酸奎宁荧光标准物质
    CAS号: 6119-70-6        Compound CID : 16211610
    分子式: C40H48N4O4.H2SO4.2H2O        分子量: 782.95
    IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate
    SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)O
    InChIKey: ZHNFLHYOFXQIOW-LPYZJUEESA-N
    InChI: 1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19-,20+;See more
  2. Lys-Lys-Lys-Lys-Lys
      规格或纯度 :
    • ≥55% peptide basis
    CAS号: 19431-21-1
    分子式: C30H62N10O6        分子量: 658.88
    IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
    SMILES: C(CCN)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)N
    InChIKey: IXPHOHNWDLRFJH-KEOOTSPTSA-N
    InChI: 1S/C30H62N10O6/c31-16-6-1-11-21(36)26(41)37-22(12-2-7-17-32)27(42)38-23(13-3-8-18-33)28(43)39-24(14-4-9-19-34)29(44)40-25(30(45)46)15-5-10-20-35/h21-25H,1-20,31-36H2,(H,37,41)(H,38,42)(H,39,43)(H,40,4See more
  3. 维生素D₃(6,19,19-d₃)溶液
      规格或纯度 :
    • ≥97 atom% D,≥97%
    • 1mg/mL in ethanol
    CAS号: 80666-48-4        EC号: 200-673-2 (unlabeled)
    分子式: C27D3H41O        分子量: 387.66
    IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
    SMILES: CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
    InChIKey: QYSXJUFSXHHAJI-GLSUUORTSA-N
    InChI: 1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1/i3D2,13D
  4. 维生素D₃(6,19,19-d₃)溶液
      规格或纯度 :
    • ≥97 atom% D,≥97%
    • 100μg/mL in ethanol
    CAS号: 80666-48-4        EC号: 200-673-2 (unlabeled)
    分子式: C27D3H41O        分子量: 387.66
    IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
    SMILES: CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
    InChIKey: QYSXJUFSXHHAJI-GLSUUORTSA-N
    InChI: 1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1/i3D2,13D
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