小分子和化合物库

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  1. [1-13C]-α-D-吡喃半乳糖磷酸二钾盐
      规格或纯度 :
    • ≥99 atom% 13C,≥98%
    CAS号: 478518-78-4        Compound CID : 90472755
    分子式: (13-C)C5H11O9PK2        分子量: 337.31
    IUPAC Name: dipotassium;[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(213C)oxan-2-yl] phosphate
    SMILES: C(C1C(C(C(C(O1)OP(=O)([O-])[O-])O)O)O)O.[K+].[K+]
    InChIKey: KCIDZIIHRGYJAE-HLZBLTOGSA-L
    InChI: 1S/C6H13O9P.2K/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2/t2-,3+,4+,5-,6-;;/m1../s1/i6+1;;
  2. 4-羟基雌酮-d4
      规格或纯度 :
    • ≥95 atom% D,≥98%
    CAS号: 81586-98-3
    分子式: C18H18D4O3        分子量: 290.39
    IUPAC Name: (8R,9S,13S,14S)-1,2,16,16-tetradeuterio-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
    SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O
    InChIKey: XQZVQQZZOVBNLU-RFZGAVBWSA-N
    InChI: 1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1/i4D,6D,7D2
  3. 二十碳五烯酸甲酯
      规格或纯度 :
    • ≥97%(GC)
    CAS号: 2734-47-6
    分子式: CH3(CH2CH=CH)5(CH2)3CO2CH3        分子量: 316.48
    IUPAC Name: methyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
    SMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC
    InChIKey: QWDCYFDDFPWISL-JEBPEJKESA-N
    InChI: 1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
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