小分子和化合物库

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  1. (+)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
  2. 法尼费醇 A
      规格或纯度 :
    • ≥85%(NMR)
    CAS号: 511-33-1
    分子式: C24H30O4        分子量: 382.49
    IUPAC Name: 7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
    SMILES: CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C
    InChIKey: FCWYNTDTQPCVPG-WTMJVXIESA-N
    InChI: 1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3/t18-,20+,21+,24-/m0/s1
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