小分子和化合物库

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12 项目

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  1. 己烯雌酚标准物质
    CAS号 : 56-53-1        Compound CID : 448537
    分子式: C18H20O2        分子量: 268.35
    IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
    SMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
    InChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N
    InChI: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
  2. 龙脑
      规格或纯度 :
    • ≥55%
    CAS号 : 507-70-0        Compound CID : 64685
    分子式: C10H18O        分子量: 154.25
    IUPAC Name: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    SMILES: CC1(C2CCC1(C(C2)O)C)C
    InChIKey: DTGKSKDOIYIVQL-UHFFFAOYSA-N
    InChI: InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
  3. 胆固醇纯度标准物质
    CAS号 : 57-88-5       
    分子式: C27H46O        分子量: 386.65
    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-ol
    SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]4(C)[C@H](CC[C@@]24[H])[C@H](C)CCCC(C)C
    InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-N
    InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
  4. 尼泊金乙酯
    CAS号 : 120-47-8        Compound CID : 8434
    分子式: C9H10O3        分子量: 166.17
    IUPAC Name: ethyl 4-hydroxybenzoate
    SMILES: CCOC(=O)C1=CC=C(C=C1)O
    InChIKey: NUVBSKCKDOMJSU-UHFFFAOYSA-N
    InChI: InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
  5. 药用甘油
    CAS号 : 56-81-5        Compound CID : 753
    分子式: C3H8O3        分子量: 92.09
    IUPAC Name: propane-1,2,3-triol
    SMILES: C(C(CO)O)O
    InChIKey: PEDCQBHIVMGVHV-UHFFFAOYSA-N
    InChI: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
  6. 乙醇胺
      规格或纯度 :
    • ≥99.7%
    CAS号 : 141-43-5        Compound CID : 700
    分子式: C2H7NO        分子量: 61.08
    IUPAC Name: 2-aminoethanol
    SMILES: C(CO)N
    InChIKey: HZAXFHJVJLSVMW-UHFFFAOYSA-N
    InChI: InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
  7. 顺式氯菊酯农药纯度标准物质
      规格或纯度 :
    • ≥99.7%
    • u=0.8(k=2)
    CAS号 : 54774-45-7        Compound CID : 40463
    分子式: C21H20Cl2O3        分子量: 391.29
    IUPAC Name: (3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
    SMILES: CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
    InChIKey: RLLPVAHGXHCWKJ-HKUYNNGSSA-N
    InChI: InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1
  8. 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: 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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