小分子和化合物库

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显示第1324个,产品总数25

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  1. Panasenoside
      规格或纯度 :
    • ≥92%
    CAS号 : 31512-06-8        Compound CID : 9986191
    分子式: C27H30O16        分子量: 610.52
    IUPAC Name: 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O
    InChIKey: LKZDFKLGDGSGEO-PABQPRPFSA-N
    InChI: InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18+,20+,21+,22-,25-,26+,27+/m1/s1
  2. 5-(溴甲基)噻吩-2-羧酸甲酯
      规格或纯度 :
    • ≥92%
    CAS号 : 108499-32-7        Compound CID : 11424851
    分子式: C7H7BrO2S        分子量: 235.11
    IUPAC Name: methyl 5-(bromomethyl)thiophene-2-carboxylate
    SMILES: COC(=O)C1=CC=C(S1)CBr
    InChIKey: GFOPHLFSDVVYGB-UHFFFAOYSA-N
    InChI: InChI=1S/C7H7BrO2S/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,4H2,1H3
  3. 寡霉素
      规格或纯度 :
    • ≥92%
    CAS号 : 1404-19-9        Compound CID : 5281899
    分子式: C45H74O11        分子量: 791.07(for Oligomycin A)
    IUPAC Name: (1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione
    SMILES: CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C
    InChIKey: MNULEGDCPYONBU-WMBHJXFZSA-N
    InChI: InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1
  4. 2,4-二氯-3,5-二甲基苯酚
      规格或纯度 :
    • ≥92%
    • Containing 6% isomer
    CAS号 : 133-53-9        Compound CID : 8621
    分子式: C8H8Cl2O        分子量: 191.05
    IUPAC Name: 2,4-dichloro-3,5-dimethylphenol
    SMILES: CC1=CC(=C(C(=C1Cl)C)Cl)O
    InChIKey: IYOLBFFHPZOQGW-UHFFFAOYSA-N
    InChI: InChI=1S/C8H8Cl2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,1-2H3
  5. 4,4-二甲氧基-2-丁酮
      规格或纯度 :
    • ≥92%
    CAS号 : 5436-21-5        Compound CID : 228548
    分子式: C6H12O3        分子量: 132.16
    IUPAC Name: 4,4-dimethoxybutan-2-one
    SMILES: CC(=O)CC(OC)OC
    InChIKey: PJCCSZUMZMCWSX-UHFFFAOYSA-N
    InChI: InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3
  6. D-(+)-麦芽糖一水合物
      规格或纯度 :
    • ≥92%
    CAS号 : 6363-53-7        Compound CID : 23615261
    分子式: C12H22O11•H2O        分子量: 360.31
    IUPAC Name: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;hydrate
    SMILES: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O.O
    InChIKey: HBDJFVFTHLOSDW-DNDLZOGFSA-N
    InChI: InChI=1S/C12H22O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h1,4-12,14-21H,2-3H2;1H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+;/m0./s1
  7. Trabedersen
      规格或纯度 :
    • ≥92%
    CAS号 : 925681-61-4        Compound CID : 132472120
    分子量: 5768.70
    SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)S)O.CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P+](=O)S)OP(=S)(O)OCC3C(CC(O3)N4C=NC5=C4N=C(NC5=O)N)OP(=S)(O)OCC6C(CC(O6)N7C=C(C(=O)NC7=O)C)OP(=S)(O)OCC8C(CC(O8)N9C=NC1=C(N=CN=C19)N)O
  8. 2,4-二羟基苯甲酸
      规格或纯度 :
    • ≥92%
    CAS号 : 89-86-1        Compound CID : 1491
    分子式: C7H6O4        分子量: 154.12
    IUPAC Name: 2,4-dihydroxybenzoic acid
    SMILES: C1=CC(=C(C=C1O)O)C(=O)O
    InChIKey: UIAFKZKHHVMJGS-UHFFFAOYSA-N
    InChI: InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
  9. 十二醛
      规格或纯度 :
    • ≥92%
    CAS号 : 112-54-9        Compound CID : 8194
    分子式: C12H24O        分子量: 184.32
    IUPAC Name: dodecanal
    SMILES: CCCCCCCCCCCC=O
    InChIKey: HFJRKMMYBMWEAD-UHFFFAOYSA-N
    InChI: InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
  10. 6-氨基烟酸
      规格或纯度 :
    • ≥92%
    CAS号 : 3167-49-5        Compound CID : 18496
    分子式: C6H6N2O2        分子量: 138.12
    IUPAC Name: 6-aminopyridine-3-carboxylic acid
    SMILES: C1=CC(=NC=C1C(=O)O)N
    InChIKey: ZCIFWRHIEBXBOY-UHFFFAOYSA-N
    InChI: InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
    • 规格或纯度 :
    • ≥92%
    CAS号 : 85-01-8       
    分子式: C14H10        分子量: 178.23
    IUPAC Name: phenanthrene
    SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C32
    InChIKey: YNPNZTXNASCQKK-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
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