小分子和化合物库

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  1. 二十烷酸-d₃₉酸
      规格或纯度 :
    • ≥98 atom% D,≥97%
    CAS号: 39756-32-6
    分子式: CD3(CD2)18COOH        分子量: 351.77
    IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-nonatriacontadeuterioicosanoic acid
    SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O
    InChIKey: VKOBVWXKNCXXDE-BKDZISOFSA-N
    InChI: 1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2
  2. 丹酚酸D
      规格或纯度 :
    • ≥96%(for identification only)
    CAS号: 142998-47-8        Compound CID : 75412558
    分子式: C20H18O10        分子量: 418.3
    IUPAC Name: (2R)-2-[(E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
    SMILES: C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)CC(=O)O)O)O
    InChIKey: KFCMFABBVSIHTB-WUTVXBCWSA-N
    InChI: 1S/C20H18O10/c21-13-4-1-10(7-15(13)23)8-16(20(28)29)30-18(26)6-3-11-2-5-14(22)19(27)12(11)9-17(24)25/h1-7,16,21-23,27H,8-9H2,(H,24,25)(H,28,29)/b6-3+/t16-/m1/s1
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