小分子和化合物库

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  1. 脱氢松香胺
      规格或纯度 :
    • ≥55%
    CAS号: 1446-61-3
    分子式: C20H31N        分子量: 285.48
    IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
    SMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C
    InChIKey: JVVXZOOGOGPDRZ-SLFFLAALSA-N
    InChI: 1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
  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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