小分子和化合物库

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  1. 油酸-d17
      规格或纯度 :
    • ≥99% deuterated forms(d1-d17)
    • 5mg/mL in methyl acetate
    CAS号: 223487-44-3
    分子式: C18H17D17O2        分子量: 299.57
    IUPAC Name: (Z)-11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecadeuteriooctadec-9-enoic acid
    SMILES: CCCCCCCCC=CCCCCCCCC(=O)O
    InChIKey: ZQPPMHVWECSIRJ-DUGYPAGXSA-N
    InChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
  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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