小分子和化合物库

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  1. 洋地黄毒苷
    CAS号 : 71-63-6        Compound CID : 441207
    分子式: C41H64O13        分子量: 764.94
    IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
    SMILES: CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O
    InChIKey: WDJUZGPOPHTGOT-XUDUSOBPSA-N
    InChI: InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
  2. DL-谷氨酸
      规格或纯度 :
    • ≥92%(HPLC)
    CAS号 : 617-65-2        Compound CID : 611
    分子式: C5H9NO4        分子量: 147.13
    IUPAC Name: 2-aminopentanedioic acid
    SMILES: C(CC(=O)O)C(C(=O)O)N
    InChIKey: WHUUTDBJXJRKMK-UHFFFAOYSA-N
    InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
  3. 大黄素-d4
      规格或纯度 :
    • ≥95 atom% D,≥96%
    CAS号 : 132796-52-2        Compound CID : 46781449
    分子式: C15H6D4O5        分子量: 274.26
    IUPAC Name: 1-deuterio-4,5,7-trihydroxy-2-(trideuteriomethyl)anthracene-9,10-dione
    SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O
    InChIKey: RHMXXJGYXNZAPX-MZCSYVLQSA-N
    InChI: InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3/i1D3,2D
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