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  1. 雷公藤红素
    CAS号 : 34157-83-0        Compound CID : 122724
    分子式: C29H38O4        分子量: 450.61
    IUPAC Name: (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
    SMILES: CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
    InChIKey: KQJSQWZMSAGSHN-JJWQIEBTSA-N
    InChI: InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
  2. 雷公藤红素
    CAS号 : 34157-83-0        Compound CID : 122724
    分子式: C29H38O4        分子量: 450.61
    IUPAC Name: (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
    SMILES: CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
    InChIKey: KQJSQWZMSAGSHN-JJWQIEBTSA-N
    InChI: InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
  3. (S)-(+)-马来酸二甲茚
    CAS号 : 121367-05-3        Compound CID : 6604866
    分子式: C₂₀H₂₄N₂・C4H4O₄        分子量: 408.5
    IUPAC Name: N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1H-inden-2-yl]ethanamine
    SMILES: CC(C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C
    InChIKey: MVMQESMQSYOVGV-OAHLLOKOSA-N
    InChI: InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m1/s1
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