小分子和化合物库

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  1. β-谷甾醇乙酸酯(含菜油甾醇乙酸酯)
      规格或纯度 :
    • ≥40%(GC)
    CAS号: 915-05-9
    分子式: C31H52O2        分子量: 456.76
    IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
    SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)C
    InChIKey: PBWOIPCULUXTNY-LBKBYZTLSA-N
    InChI: 1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
  2. L-苯丙氨酸-¹³C₉,¹⁵N
      规格或纯度 :
    • ≥98 atom% 13C,≥98 atom% 15N,≥95%,≥97%(Chiral Purity)
    CAS号: 878339-23-2
    分子式: 13C6H513CH213CH(15NH2)13CO2H        分子量: 175.12
    IUPAC Name: (2R)-2-(15N)azanyl-3-((1,2,3,4,5,6-13C6)cyclohexatrienyl)(1,2,3-13C3)propanoic acid
    SMILES: C1=CC=C(C=C1)CC(C(=O)O)N
    InChIKey: COLNVLDHVKWLRT-XNVLCMLSSA-N
    InChI: 1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1
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