小分子和化合物库

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  1. 枞酸乙酯
      规格或纯度 :
    • ≥80%(GC)
    CAS号: 631-71-0
    分子式: C22H34O2        分子量: 330.51
    IUPAC Name: ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
    SMILES: CCOC(=O)C1(CCCC2(C1CC=C3C2CCC(=C3)C(C)C)C)C
    InChIKey: AGUBCDYYAKENKG-YVNJGZBMSA-N
    InChI: 1S/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3/t18-,19+,21+,22+/m0/s1
  2. β-烟酰胺腺嘌呤二核苷酸 水合物
    CAS号: 53-84-9        EC号: 200-184-4
    分子式: C21H27N7O14P2 · xH2O        分子量: 663.43 (anhydrous basis)
    IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
    SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N
    InChIKey: BAWFJGJZGIEFAR-NNYOXOHSSA-N
    InChI: 1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-See more
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