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化学和生化试剂

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  1. 美雌醇
    CAS号: 72-33-3        EC号: 200-777-8
    分子式: C21H26O2        分子量: 310.43
    IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
    SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC
    InChIKey: IMSSROKUHAOUJS-MJCUULBUSA-N
    InChI: 1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
  2. β-雌二醇
    CAS号: 50-28-2        EC号: 200-023-8
    分子式: C18H24O2        分子量: 272.38
    IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
    SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
    InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N
    InChI: 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
  3. Y 134,雌激素受体调节剂(SERM)
    CAS号: 849662-80-2        Compound CID : 11784736
    分子式: C28H28N2O3S        分子量: 472.6
    IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
    SMILES: CC(C)N1CCN(CC1)C2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O
    InChIKey: LQEOPHGPHCWOAC-UHFFFAOYSA-N
    InChI: 1S/C28H28N2O3S/c1-18(2)29-13-15-30(16-14-29)21-7-3-19(4-8-21)27(33)26-24-12-11-23(32)17-25(24)34-28(26)20-5-9-22(31)10-6-20/h3-12,17-18,31-32H,13-16H2,1-2H3
  4. 雌四醇
    CAS号: 15183-37-6
    分子式: C18H24O4        分子量: 304.38
    IUPAC Name: (8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol
    SMILES: CC12CCC3C(C1C(C(C2O)O)O)CCC4=C3C=CC(=C4)O
    InChIKey: AJIPIJNNOJSSQC-NYLIRDPKSA-N
    InChI: 1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1
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