小分子和化合物库

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  1. 洋地黄毒苷
    CAS号: 71-63-6        EC号: 200-760-5
    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-10,13See more
    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: 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/h14,20-22See more
  2. (-)-蓝桉醇
      规格或纯度 :
    • ≥98.5%(GC)
    • sum of enantiomers
    CAS号: 489-41-8        Compound CID : 12304985
    分子式: C15H26O        分子量: 222.37
    IUPAC Name: (1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
    SMILES: C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@@H](CC[C@@]2(C)O)C3(C)C
    InChIKey: AYXPYQRXGNDJFU-QTPLKFIXSA-N
    InChI: 1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12-,13-,15-/m1/s1
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