小分子和化合物库

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显示第112个,产品总数69

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  1. 丹参素钠
    CAS号 : 67920-52-9        Compound CID : 23711819
    分子式: C9H9NaO5        分子量: 220.15
    IUPAC Name: sodium;3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
    SMILES: C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O.[Na+]
    InChIKey: ZMMKVDBZTXUHFO-UHFFFAOYSA-M
    InChI: InChI=1S/C9H10O5.Na/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14;/h1-3,8,10-12H,4H2,(H,13,14);/q;+1/p-1
  2. 去氢胆酸
      规格或纯度 :
    • ≥98.5%
    CAS号 : 81-23-2        Compound CID : 6674
    分子式: C24H34O5        分子量: 402.52
    IUPAC Name: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
    SMILES: CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C
    InChIKey: OHXPGWPVLFPUSM-KLRNGDHRSA-N
    InChI: InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1
  3. 芥酸
      规格或纯度 :
    • ≥80%
    CAS号 : 112-86-7        Compound CID : 5281116
    分子式: C22H42O2        分子量: 338.57
    IUPAC Name: (Z)-docos-13-enoic acid
    SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)O
    InChIKey: DPUOLQHDNGRHBS-KTKRTIGZSA-N
    InChI: InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-
  4. 海柯皂苷元
      规格或纯度 :
    • ≥80%
    CAS号 : 467-55-0        Compound CID : 91453
    分子式: C27H42O4        分子量: 430.63
    IUPAC Name: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
    SMILES: CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)O)C)C)C)OC1
    InChIKey: QOLRLLFJMZLYQJ-LOBDNJQFSA-N
    InChI: InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1
  5. 硫酸阿托品一水合物
      规格或纯度 :
    • ≥98.5%
    CAS号 : 5908-99-6        Compound CID : 656678
    分子式: C34H46N2O6.H2SO4.H2O        分子量: 694.83
    IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;sulfuric acid;hydrate
    SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O
    InChIKey: JPKKQJKQTPNWTR-BRYCGAMXSA-N
    InChI: InChI=1S/2C17H23NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);1H2/t2*13-,14+,15?,16?;;
  6. 植酸 二钾盐
      规格或纯度 :
    • ≥80%
    CAS号 : 129832-03-7        Compound CID : 22838972
    分子式: C6H16O24P6K2        分子量: 736.22
    IUPAC Name: dipotassium;[(2R,3S,5R,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphate
    SMILES: C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)([O-])[O-])OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O.[K+].[K+]
    InChIKey: LFTTXUFEVNNTHA-OKBOCSEJSA-L
    InChI: InChI=1S/C6H18O24P6.2K/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;/q;2*+1/p-2/t1-,2-,3?,4?,5-,6+;;/m0../s1
  7. 阻燃剂FRC-2
      规格或纯度 :
    • ≥80%
    CAS号 : 20120-33-6        Compound CID : 29959
    分子式: C6H14NO5P        分子量: 211.16
    IUPAC Name: 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide
    SMILES: COP(=O)(CCC(=O)NCO)OC
    InChIKey: MCONGYNHPPCHSD-UHFFFAOYSA-N
    InChI: InChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)
  8. 香菇素
      规格或纯度 :
    • ≥80%
    CAS号 : 292-46-6        Compound CID : 67521
    分子式: C2H4S5        分子量: 188.37
    IUPAC Name: 1,2,3,5,6-pentathiepane
    SMILES: C1SSCSSS1
    InChIKey: DZKOKXZNCDGVRY-UHFFFAOYSA-N
    InChI: InChI=1S/C2H4S5/c1-3-4-2-6-7-5-1/h1-2H2
  9. DTSSP交联剂二钠盐
      规格或纯度 :
    • ≥80%
    CAS号 : 142702-31-6        Compound CID : 72386042
    分子式: C14H14O14N2S4Na2        分子量: 608.51
    IUPAC Name: disodium;1-[3-[[3-(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
    SMILES: C1C(C(=O)N(C1=O)OC(=O)CCSSCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
    InChIKey: XRWWBWZHHSXBNC-UHFFFAOYSA-L
    InChI: InChI=1S/C14H16N2O14S4.2Na/c17-9-5-7(33(23,24)25)13(21)15(9)29-11(19)1-3-31-32-4-2-12(20)30-16-10(18)6-8(14(16)22)34(26,27)28;;/h7-8H,1-6H2,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2
  10. tigogenin
      规格或纯度 :
    • ≥80%
    CAS号 : 77-60-1        Compound CID : 99516
    分子式: C27H44O3        分子量: 416.65
    IUPAC Name: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
    SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1
    InChIKey: GMBQZIIUCVWOCD-MFRNJXNGSA-N
    InChI: InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
  11. 前列腺素A
      规格或纯度 :
    • ≥80%
    CAS号 : 466-06-8        Compound CID : 5284613
    分子式: C30H42O8        分子量: 530.66
    IUPAC Name: 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
    SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
    InChIKey: MYEJFUXQJGHEQK-ALRJYLEOSA-N
    InChI: InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1
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