小分子和化合物库

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显示第2536个,产品总数46

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  1. 水飞蓟素
      规格或纯度 :
    • ≥80%
    CAS号: 65666-07-1        Compound CID : 5213
    分子式: C25H22O10        分子量: 482.44
    IUPAC Name: 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
    SMILES: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
    InChIKey: SEBFKMXJBCUCAI-UHFFFAOYSA-N
    InChI: 1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3
  2. ATP-γ-S,激酶底物
      规格或纯度 :
    • ≥80%
    CAS号: 93839-89-5
    分子式: C10H12Li4N5O12P3S        分子量: 546.98
    IUPAC Name: tetralithium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] dioxidophosphinothioyl phosphate
    SMILES: [Li+].[Li+].[Li+].[Li+].C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)N
    InChIKey: DWQFDOIBOYDYKH-KWIZKVQNSA-J
    InChI: 1S/C10H16N5O12P3S.4Li/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31;;;;/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31);;;;/q;4*+1/p-4See more
  3. Heliquinomycin
      规格或纯度 :
    • ≥80%
    CAS号: 178182-49-5
    分子式: C33H30O17        分子量: 698.58
    IUPAC Name: methyl (2R,3R,3'R)-3,4',9',10-tetrahydroxy-3'-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
    SMILES: CC1C(C(CC(O1)OC2C3=C(C4=C(C(=C3OC25C(CC6=C(O5)C(=C7C(=C6)C=C(OC7=O)C(=O)OC)O)O)O)C(=O)C(=CC4=O)OC)O)OC)O
    InChIKey: MLFZQFHGXSVTGX-VJANPNJTSA-N
    InChI: 1S/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30See more
  4. 山高雷帕霉素钠盐
      规格或纯度 :
    • ≥80%
    CAS号: 148554-65-8        Compound CID : 71772273
    分子式: C51H78NO13・Na        分子量: 936.15
    IUPAC Name: sodium;(2S)-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocSee more
    SMILES: CC1CCC(OC1(C(=O)C(=O)N2CCCCC2C(=O)[O-])O)CC(C(=CC=CC=CC(C)CC(C)C(=O)C(C(C(=CC(C)C(=O)C=CC(C)CC3CCC(C(C3)OC)O)C)O)OC)C)OC.[Na+]
    InChIKey: DNMSBJYMPJMFNS-OWGFPTNRSA-M
    InChI: 1S/C51H79NO13.Na/c1-31(26-35(5)45(55)47(64-10)46(56)36(6)28-34(4)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)63-9)16-12-11-13-17-33(3)43(62-8)30-39-22-20-37(7)51(61,65-39)48(57)49(58)52-25-15-14-18-40See more
  5. 达巴霉素杂质
      规格或纯度 :
    • ≥80%
    CAS号: 102961-72-8        Compound CID : 122177137
    分子式: C₈₃H₈₈Cl₂N₈O₂₉        分子量: 1732.53
    IUPAC Name: 6-[[5,32-dichloro-22-(dimethylamino)-52-[3-(dimethylamino)propylcarbamoyl]-2,26,31,44,49-pentahydroxy-21,35,38,54,56,59-hexaoxo-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36See more
    SMILES: CC(C)CCCCCCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)OC8C(C(C(C(O8)CO)O)O)O)C9=C(C=CC(=C9)C(C(=O)N6)NC(=O)C4NC(=O)C1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)C(C(=O)NC(CC2=CC=C(OSee more
    InChIKey: SNSXACHJXZAERT-UHFFFAOYSA-N
    InChI: 1S/C88H100Cl2N10O28.ClH/c1-38(2)13-10-8-7-9-11-14-61(106)93-69-73(109)75(111)78(86(120)121)128-87(69)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)68-84(118)97-66(80(114)91-25-12-26-99(3See more
  6. 水苏糖 水合物
      规格或纯度 :
    • ≥80%
    CAS号: 54261-98-2        EC号: 207-427-3
    分子式: C24H42O21·xH2O        分子量: 666.58(as Anhydrous)
    IUPAC Name: 2-[[6-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    SMILES: O.OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
    InChIKey: UQZIYBXSHAGNOE-UHFFFAOYSA-N
    InChI: 1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2
  7. 橙皮苷
      规格或纯度 :
    • ≥80%
    CAS号: 520-26-3        EC号: 208-288-1
    分子式: C28H34O15        分子量: 610.56
    IUPAC Name: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
    SMILES: COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2
    InChIKey: QUQPHWDTPGMPEX-QJBIFVCTSA-N
    InChI: 1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+See more
  8. 肉豆蔻酰辅酶A锂盐
      规格或纯度 :
    • ≥80%
    CAS号: 187100-75-0        Compound CID : 118855984
    分子式: C35H58Li4N7O17P3S        分子量: 1001.7
    IUPAC Name: tetralithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-tetradecanoylsulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoSee more
    SMILES: [Li+].[Li+].[Li+].[Li+].CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O
    InChIKey: DMIGQCYHWKIMOK-RUVUOEETSA-J
    InChI: 1S/C35H62N7O17P3S.4Li/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-See more
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