小分子和化合物库

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显示第112个,产品总数283

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  1. 原花青素B2
    CAS号: 29106-49-8        Compound CID : 122738
    分子式: C30H26O12        分子量: 578.52
    IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
    SMILES: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
    InChIKey: XFZJEEAOWLFHDH-NFJBMHMQSA-N
    InChI: 1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1See more
  2. 豆甾醇
    CAS号: 83-48-7        EC号: 201-482-7        Compound CID : 5280794
    分子式: C29H48O        分子量: 412.69
    IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    SMILES: CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
    InChIKey: HCXVJBMSMIARIN-PHZDYDNGSA-N
    InChI: 1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
  3. 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: 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
  4. 5-[4-[2-(3,5-二甲基-4-硝基苯乙烯基)苯甲酰胺基]-2-(6-羟基-3-氧代-3H-氧杂蒽-9-基)苯甲酸一水合物
      规格或纯度 :
    • ≥90%
    CAS号: 1160555-05-4        Compound CID : 131674809
    分子式: C37H26N2O8·H2O        分子量: 644.63
    IUPAC Name: 5-[[4-[(E)-2-(3,5-dimethyl-4-nitrophenyl)ethenyl]benzoyl]amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;hydrate
    SMILES: CC1=CC(=CC(=C1[N+](=O)[O-])C)C=CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O.O
    InChIKey: LICHISZJWNEUDF-BJILWQEISA-N
    InChI: 1S/C37H26N2O8.H2O/c1-20-15-23(16-21(2)35(20)39(45)46)4-3-22-5-7-24(8-6-22)36(42)38-25-9-12-28(31(17-25)37(43)44)34-29-13-10-26(40)18-32(29)47-33-19-27(41)11-14-30(33)34;/h3-19,40H,1-2H3,(H,38,42)(H,43See more
  5. 血卟啉二盐酸盐
      规格或纯度 :
    • ≥90%
    CAS号: 17696-69-4
    分子式: C34H38N4O62HCl        分子量: 671.62
    IUPAC Name: 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
    SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O.Cl.Cl
    InChIKey: WZQQOXSHARXAID-UHFFFAOYSA-N
    InChI: 1S/C34H38N4O6.2ClH/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;;/h11-14,19-20,37-40H,7-10H2,1-6H3,(H,41,4See more
  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: 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)(H2,22,23,2See more
  7. α-毒伞肽
    CAS号: 23109-05-9        EC号: 245-432-2        Compound CID : 2100
    分子式: C39H54N10O14S        分子量: 918.97
    IUPAC Name: 2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(See more
    SMILES: CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)O
    InChIKey: CIORWBWIBBPXCG-UHFFFAOYSA-N
    InChI: 1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40See more
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