小分子和化合物库

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  1. 头孢丙烯一水合物
      规格或纯度 :
    • ≥90%(dry basis)
    CAS号: 121123-17-9        Compound CID : 6436628
    分子式: C18H21N3O6S        分子量: 407.45
    IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate
    SMILES: CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O.O
    InChIKey: ALYUMNAHLSSTOU-CIRGZYLNSA-N
    InChI: 1S/C18H19N3O5S.H2O/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9;/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26);1H2/b3-2+;/t12-,13-,17-;/m1./s1
  2. 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
  3. 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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