小分子和化合物库

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  1. 2,4-二氯酯酸甲酯
      规格或纯度 :
    • ≥95%(LC/MS-UV)
    CAS号: 398118-62-2
    分子式: C18H16Cl2O8        分子量: 431.22
    IUPAC Name: methyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
    SMILES: CC1=C(C(=C(C(=C1Cl)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)OC)O)Cl
    InChIKey: UWTOESDPWKUNBD-UHFFFAOYSA-N
    InChI: 1S/C18H16Cl2O8/c1-7-12(19)14(22)11(18(24)27-4)16(13(7)20)28-15-9(17(23)26-3)5-8(21)6-10(15)25-2/h5-6,21-22H,1-4H3
  2. 伊利西林C
      规格或纯度 :
    • ≥95%(LC/MS-UV)
    CAS号: 22562-67-0
    分子式: C23H31ClO4        分子量: 406.94
    IUPAC Name: 5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde
    SMILES: CC1CCC(=O)C(C1(C)CCC(=CCC2=C(C(=C(C(=C2O)Cl)C)C=O)O)C)C
    InChIKey: IJEHYEVNWOYGMS-WGUBEYSISA-N
    InChI: 1S/C23H31ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,12,14,16,27-28H,7-11H2,1-5H3/b13-6+/t14-,16+,23+/m1/s1
  3. 单倍体C
      规格或纯度 :
    • ≥95%(LC/MS-UV)
    CAS号: 108279-04-5
    分子式: C31H36O18        分子量: 696.61
    IUPAC Name: [(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxochromen-7-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
    SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(C4=C(C(=C3)O)C(=O)C(=C(O4)C5=CC(=C(C=C5)O)OC)O)OC)COC(=O)C)O)O)O)O)O
    InChIKey: JGGRFKDDIGORCC-LHYXFQTCSA-N
    InChI: 1S/C31H36O18/c1-10-19(35)22(38)25(41)30(45-10)49-29-23(39)20(36)17(9-44-11(2)32)47-31(29)46-16-8-14(34)18-21(37)24(40)26(48-28(18)27(16)43-4)12-5-6-13(33)15(7-12)42-3/h5-8,10,17,19-20,22-23,25,29-31,3See more
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