小分子和化合物库

选项
视图 列表 网格

10 项目

设置降序方向
  1. 邻苯二甲酸单环己酯-d4
      规格或纯度 :
    • ≥99 atom% D,≥98%
    CAS号 : 1398066-18-6        Compound CID : 131698665
    分子式: C14H12D4O4        分子量: 252.3
    IUPAC Name: 2-cyclohexyloxycarbonyl-3,4,5,6-tetradeuteriobenzoate
    SMILES: C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)[O-]
    InChIKey: PMDKYLLIOLFQPO-DOGSKSIHSA-M
    InChI: InChI=1S/C14H16O4/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)/p-1/i4D,5D,8D,9D
  2. 盐酸阿米替林-d6
      规格或纯度 :
    • ≥99 atom% D,≥98%
    CAS号 : 203645-63-0        Compound CID : 76974221
    分子式: C20H18D6ClN        分子量: 319.90
    IUPAC Name: 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride
    SMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl
    InChIKey: KFYRPLNVJVHZGT-TXHXQZCNSA-N
    InChI: InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H/i1D3,2D3;
  3. (15:3)-漆树酸
      规格或纯度 :
    • ≥85%(LC/MS-ELSD)
    CAS号 : 103904-73-0       
    分子式: C22H30O3        分子量: 342.47
    IUPAC Name: 2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzoic acid
    SMILES: C=CCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
    InChIKey: QUVGEKPNSCFQIR-UTOQUPLUSA-N
    InChI: InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
  4. 3,4-二-O-没食子酰莽草酸
      规格或纯度 :
    • ≥85%(LC/MS-ELSD)
    CAS号 : 95753-51-8        Compound CID : 460900
    分子式: C21H18O13        分子量: 478.36
    IUPAC Name: (3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid
    SMILES: C1C(C(C(C=C1C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O
    InChIKey: UFDJVOQZZQZYJG-IIDMSEBBSA-N
    InChI: InChI=1S/C21H18O13/c22-10-2-8(3-11(23)16(10)27)20(31)33-15-6-7(19(29)30)1-14(26)18(15)34-21(32)9-4-12(24)17(28)13(25)5-9/h1-5,14-15,18,22-28H,6H2,(H,29,30)/t14-,15-,18-/m1/s1
  5. 7-脱氢胆固醇-25,26,26,26,27,27,27-d₇
      规格或纯度 :
    • ≥99 atom% D,≥98%
    CAS号 : 388622-58-0        Compound CID : 70699278
    分子式: C27H37D7O        分子量: 391.68
    IUPAC Name: (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
    InChIKey: UCTLRSWJYQTBFZ-UDEPUTHCSA-N
    InChI: InChI=1S/C27H44O/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/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
  6. N-反式咖啡酰酪胺
      规格或纯度 :
    • ≥85%(LC/MS-ELSD)
    CAS号 : 103188-48-3        Compound CID : 9994897
    分子式: C17H17NO4        分子量: 299.32
    IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
    SMILES: C1=CC(=CC=C1CCNC(=O)C=CC2=CC(=C(C=C2)O)O)O
    InChIKey: VSHUQLRHTJOKTA-XBXARRHUSA-N
    InChI: InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+
  7. 新镰孢菌酮
      规格或纯度 :
    • ≥85%(LC/MS-ELSD)
    CAS号 : 927209-87-8        Compound CID : 54684865
    分子式: C34H54O9        分子量: 606.79
    IUPAC Name: 3-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,9Z)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12-tetramethyloctadeca-4,6,9-trien-2-yl]pyran-2-one
    SMILES: CCCCCCC(C)CC(=CC(CO)C=C(C)C=CC(C(C)(C)C1=CC(=C(C(=O)O1)C2C(C(CC(O2)CO)O)O)O)O)C
    InChIKey: HEECQDWUNPZALD-ZBNIOBMFSA-N
    InChI: InChI=1S/C34H54O9/c1-7-8-9-10-11-21(2)14-23(4)16-24(19-35)15-22(3)12-13-28(39)34(5,6)29-18-26(37)30(33(41)43-29)32-31(40)27(38)17-25(20-36)42-32/h12-13,15-16,18,21,24-25,27-28,31-32,35-40H,7-11,14,17,19-20H2,1-6H3/b13-12+,22-15+,23-16-/t21?,24?,25-,27-,28?,31+,32-/m0/s1
  8. 橄榄苦苷酸
      规格或纯度 :
    • ≥85%(LC/MS-ELSD)
    CAS号 : 96382-90-0        Compound CID : 75111051
    分子式: C25H30O15        分子量: 570.50
    IUPAC Name: 2-[4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]acetic acid
    SMILES: COC(=O)C1=COC(C(=CC(=O)O)C1CC(=O)OCCC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
    InChIKey: XJDJODWHDUVAGF-UHFFFAOYSA-N
    InChI: InChI=1S/C25H30O15/c1-36-23(35)14-10-38-24(40-25-22(34)21(33)20(32)17(9-26)39-25)13(7-18(29)30)12(14)8-19(31)37-5-4-11-2-3-15(27)16(28)6-11/h2-3,6-7,10,12,17,20-22,24-28,32-34H,4-5,8-9H2,1H3,(H,29,30)
  9. 雌酮-2,3,4-¹³C₃溶液
      规格或纯度 :
    • ≥99 atom% D,≥98%
    • 100μg/mL in methanol
    CAS号 : 1241684-29-6        Compound CID : 66995388
    分子式: C1513C3H22O2        分子量: 273.34
    IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
    SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
    InChIKey: DNXHEGUUPJUMQT-JTCDCFKFSA-N
    InChI: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3+1,10+1,12+1
  10. 麦可甙
      规格或纯度 :
    • ≥85%(LC/MS-ELSD)
    CAS号 : 51005-44-8        Compound CID : 12002015
    分子式: C25H30O13        分子量: 538.5
    IUPAC Name: [(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
    SMILES: COC1=C(C=C(C=C1)C=CC(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O
    InChIKey: LRHHPZILMPIMIY-GGKKSNITSA-N
    InChI: InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1
每页