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. 脱氢松香胺
      规格或纯度 :
    • ≥55%
    CAS号: 1446-61-3
    分子式: C20H31N        分子量: 285.48
    IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
    SMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C
    InChIKey: JVVXZOOGOGPDRZ-SLFFLAALSA-N
    InChI: 1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
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