小分子和化合物库

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显示第3748个,产品总数133

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  1. Kaempferol 3-rutinoside 4′-glucoside
      规格或纯度 :
    • ≥95%(LC/MS-ELSD)
    CAS号: 89439-58-7
    分子式: C33H40O20        分子量: 756.66
    IUPAC Name: 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(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-See more
    SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O
    InChIKey: FYJOVKRHRUYSLY-QDSFYBSMSA-N
    InChI: 1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-2See more
  2. Mussaendoside S
      规格或纯度 :
    • ≥95%(LC/MS-ELSD)
    CAS号: 165198-41-4
    分子量: 810.96
    SMILES: O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O[C@@H](CC[C@]2(C3CC[C@@]4(C2CC=C5[C@]4(CC[C@@]6([C@]5([C@H]([C@@H](CC6)C)C)[H])C(O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)CO)=O)C(O)=O)C)C)C3(C)C
    InChIKey: LDCLXZSKVDYDBF-NCWMSNPISA-N
    InChI: 1S/C42H66O15/c1-19-9-14-41(37(53)57-35-33(50)31(48)29(46)23(18-44)55-35)15-16-42(36(51)52)21(27(41)20(19)2)7-8-25-39(5)12-11-26(38(3,4)24(39)10-13-40(25,42)6)56-34-32(49)30(47)28(45)22(17-43)54-34/h7,See more
  3. Olivil 4'-O-β-D-吡喃葡萄糖苷
      规格或纯度 :
    • ≥95%(LC/MS-ELSD)
    CAS号: 56440-73-4
    分子式: C26H34O12        分子量: 538.54
    IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-[(3R,4S)-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    SMILES: COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O)O
    InChIKey: OXHVZEZYYQQCRJ-ZLNFVOGTSA-N
    InChI: 1S/C26H34O12/c1-34-18-7-13(3-5-16(18)29)9-26(33)12-36-24(15(26)10-27)14-4-6-17(19(8-14)35-2)37-25-23(32)22(31)21(30)20(11-28)38-25/h3-8,15,20-25,27-33H,9-12H2,1-2H3/t15-,20-,21-,22+,23-,24?,25-,26-/m1See more
  4. Plumeride p-香豆酸盐
      规格或纯度 :
    • ≥90%(LC/MS-ELSD)
    CAS号: 80416-52-0
    分子式: C30H32O14        分子量: 616.57
    IUPAC Name: methyl (1S,4aS,7R,7aS)-4'-[1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furSee more
    SMILES: CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)OC(=O)C=CC5=CC=C(C=C5)O
    InChIKey: WBCMGDNFDRNGGZ-FKYHQWBNSA-N
    InChI: 1S/C30H32O14/c1-14(41-21(33)8-5-15-3-6-16(32)7-4-15)18-11-30(44-27(18)38)10-9-17-19(26(37)39-2)13-40-28(22(17)30)43-29-25(36)24(35)23(34)20(12-31)42-29/h3-11,13-14,17,20,22-25,28-29,31-32,34-36H,12H2,See more
  5. Proferrioxamine-D2
      规格或纯度 :
    • ≥95%(LC/MS-ELSD)
    CAS号: 126988-91-8        Compound CID : 14671620
    分子式: C26H46N6O9        分子量: 586.68
    IUPAC Name: 1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone
    SMILES: C1CCNC(=O)CCC(=O)N(CCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O)O
    InChIKey: SXTGVXKFOVZYIK-UHFFFAOYSA-N
    InChI: 1S/C26H46N6O9/c33-21-9-12-24(36)30(39)18-6-2-4-16-28-22(34)10-14-26(38)32(41)20-8-5-17-29-23(35)11-13-25(37)31(40)19-7-1-3-15-27-21/h39-41H,1-20H2,(H,27,33)(H,28,34)(H,29,35)
  6. Scillaren A
      规格或纯度 :
    • ≥90%(LC/MS-ELSD)
    CAS号: 124-99-2        Compound CID : 441870
    分子量: 692.79
    SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
    InChIKey: NXJOCELNFPGKIV-ARHXXGKOSA-N
    InChI: 1S/C36H52O13/c1-17-31(49-33-29(42)27(40)26(39)24(15-37)48-33)28(41)30(43)32(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,3See more
  7. α-Santal-10烯12-油酸
      规格或纯度 :
    • ≥95%(LC/MS-ELSD)
    CAS号: 74642-79-8        Compound CID : 25837663
    分子式: C15H22O2        分子量: 234.33
    IUPAC Name: (E)-5-[(1R,3R,6S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-enoic acid
    SMILES: CC(=CCCC1(C2CC3C1(C3C2)C)C)C(=O)O
    InChIKey: NZSCHTYUGUVLHG-YZHDLEJUSA-N
    InChI: 1S/C15H22O2/c1-9(13(16)17)5-4-6-14(2)10-7-11-12(8-10)15(11,14)3/h5,10-12H,4,6-8H2,1-3H3,(H,16,17)/b9-5+/t10?,11-,12+,14-,15?/m1/s1
  8. β-D-吡喃葡萄糖基蒲公英酯
      规格或纯度 :
    • ≥90%(LC/MS-ELSD)
    CAS号: 75911-14-7        Compound CID : 164512135
    分子式: C21H28O9        分子量: 424.44
    IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3aS,6Z,11aR)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
    SMILES: CC1=CC2C(CCC(=CCC1)C(=O)OC3C(C(C(C(O3)CO)O)O)O)C(=C)C(=O)O2
    InChIKey: SIOXYUXOHTZOOM-GTWBUIRMSA-N
    InChI: 1S/C21H28O9/c1-10-4-3-5-12(6-7-13-11(2)19(26)28-14(13)8-10)20(27)30-21-18(25)17(24)16(23)15(9-22)29-21/h5,8,13-18,21-25H,2-4,6-7,9H2,1H3/b10-8?,12-5-/t13-,14+,15+,16+,17-,18+,21-/m0/s1
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