小分子和化合物库

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  1. 鬼臼苦素
      规格或纯度 :
    • ≥50%
    CAS号: 9000-55-9        EC号: 232-546-2        Compound CID : 11979494
    分子式: C88H92O34        分子量: 1693.65
    IUPAC Name: 8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid;5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,See more
    SMILES: COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O.COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O.COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)C(=O)O.COC1=CC(=CC(=C1OC)OC)C2See more
    InChIKey: KOUZYZCESNTXJO-UHFFFAOYSA-N
    InChI: 1S/2C22H24O9.2C22H22O8/c2*1-27-16-4-10(5-17(28-2)21(16)29-3)18-11-6-14-15(31-9-30-14)7-12(11)20(24)13(8-23)19(18)22(25)26;2*1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-See more
  2. 2-甲氧基-¹³C,d₃-雌酮
      规格或纯度 :
    • ≥98 atom%,≥98%
    CAS号: 1217460-84-8
    分子式: C19H24O3        分子量: 301.4
    IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-2-(113C)methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
    SMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)OC)O
    InChIKey: WHEUWNKSCXYKBU-IQEHBMMRSA-N
    InChI: 1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i2+1
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