小分子和化合物库

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  1. N-羟乙酰神经氨酸(Neu5Gc)
      规格或纯度 :
    • ≥95%(HPLC)
    CAS号: 1113-83-3
    分子式: C11H19NO10        分子量: 325.27
    IUPAC Name: (2S,4S,5R,6R)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
    SMILES: C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)NC(=O)CO)O
    InChIKey: FDJKUWYYUZCUJX-AJKRCSPLSA-N
    InChI: 1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
  2. 薯蓣皂甙
    CAS号: 19057-60-4        EC号: 866-819-8
    分子式: C45H72O16        分子量: 869.05
    IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16See more
    SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
    InChIKey: VNONINPVFQTJOC-ZGXDEBHDSA-N
    InChI: 1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31See more
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