小分子和化合物库

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  1. 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
  2. 海胺® 1622
    CAS号: 121-54-0        EC号: 204-479-9
    分子式: C27H42ClNO2        分子量: 448.08
    IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
    SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
    InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-M
    InChI: 1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
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