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. (+)顺式,反式-脱落酸-d6
      规格或纯度 :
    • ≥95%,≥98 atom%
    CAS号: 721948-65-8        Compound CID : 46779839
    分子式: C15H14D6O4        分子量: 270.35
    IUPAC Name: (2Z,4E)-3-methyl-5-[(1S)-3,5,5-trideuterio-1-hydroxy-6,6-dimethyl-4-oxo-2-(trideuteriomethyl)cyclohex-2-en-1-yl]penta-2,4-dienoic acid
    SMILES: [2H]C1=C(C([2H])([2H])[2H])[C@](O)(\C=C\C(=C/C(=O)O)\C)C(C)(C)C([2H])([2H])C1=O
    InChIKey: JLIDBLDQVAYHNE-CKOUZVSSSA-N
    InChI: 1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1/i2D3,8D,9D2
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