小分子和化合物库

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  1. 雌三醇-d3
      规格或纯度 :
    • ≥95 atom% D,≥95%(HPLC)
    CAS号: 79037-36-8
    分子式: C18H21D3O3        分子量: 291.4
    IUPAC Name: (8R,13S,17R)-2,4,17-trideuterio-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol
    SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
    InChIKey: PROQIPRRNZUXQM-JFORYDAQSA-N
    InChI: 1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13?,14-,15?,16?,17+,18+/m1/s1/i3D,8D,17D
  2. 正辛酸胆固醇酯
      规格或纯度 :
    • ≥95%(GC)
    CAS号: 1182-42-9
    分子式: C35H60O2        分子量: 512.86
    IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octanoate
    SMILES: CCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
    InChIKey: SKLBBRQPVZDTNM-SJTWHRLHSA-N
    InChI: 1S/C35H60O2/c1-7-8-9-10-11-15-33(36)37-28-20-22-34(5)27(24-28)16-17-29-31-19-18-30(26(4)14-12-13-25(2)3)35(31,6)23-21-32(29)34/h16,25-26,28-32H,7-15,17-24H2,1-6H3/t26-,28+,29+,30-,31+,32+,34+,35-/m1/sSee more
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