小分子和化合物库
选项
-
WAY-324284-ACAS号: 524676-05-9分子式: C20H23N3O3S 分子量: 385.48SMILES: COC1=CC=C(C=C1)[S](=O)(=O)N2CCN(CC2)CC3=C[NH]C4=C3C=CC=C4
-
EurycomalactoneCAS号: 23062-24-0 Compound CID : 441793分子式: C19H24O6 分子量: 348.39IUPAC Name: (1S,2R,5S,9S,10S,11R,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trioneSMILES: CC1C2C(C3C4(C(CC(=O)C3(C1C(=O)O2)C)C(=CC(=O)C4O)C)C)OInChIKey: OGHYZHNTIINXEO-MGBQOKOWSA-NInChI: 1S/C19H24O6/c1-7-5-10(20)16(23)18(3)9(7)6-11(21)19(4)12-8(2)14(25-17(12)24)13(22)15(18)19/h5,8-9,12-16,22-23H,6H2,1-4H3/t8-,9+,12-,13+,14-,15-,16-,18+,19+/m1/s1
-
-
-
核黄素磷酸钠分子式: C17H20N4NaO9P 分子量: 478.33IUPAC Name: sodium;[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphateSMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)[O-])O)O)O.[Na+]InChIKey: OHSHFZJLPYLRIP-BMZHGHOISA-MInChI: 1S/C17H21N4O9P.Na/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);/q;+1/p-1/t11-,12+,14-;/m0./s1
-
熊果酸分子式: C30H48O3 分子量: 456.70IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acidSMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)OInChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-NInChI: See more
-
1-氨基-3,6,9,12-四氧杂十五烷-15-酸叔丁酯CAS号: 581065-95-4分子式: C15H31NO6 分子量: 321.41IUPAC Name: tert-butyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoateSMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCNInChIKey: PKESARRNSGIDRD-UHFFFAOYSA-NInChI: 1S/C15H31NO6/c1-15(2,3)22-14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16/h4-13,16H2,1-3H3
-
3-羟基-3-甲基戊二酸CAS号: 503-49-1分子式: C6H10O5 分子量: 162.14IUPAC Name: 3-hydroxy-3-methylpentanedioic acidSMILES: CC(CC(=O)O)(CC(=O)O)OInChIKey: NPOAOTPXWNWTSH-UHFFFAOYSA-NInChI: 1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
-
DL-异柠檬酸三钠盐 水合物CAS号: 1637-73-6分子式: C6H5O7Na3·xH2O 分子量: 258.07 (anhydrous basis)IUPAC Name: trisodium;1-hydroxypropane-1,2,3-tricarboxylateSMILES: C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]InChIKey: HWMVXEKEEAIYGB-UHFFFAOYSA-KInChI: 1S/C6H8O7.3Na/c7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3
-
胆固醇壬酸酯CAS号: 1182-66-7分子式: C36H62O2 分子量: 526.89IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoateSMILES: CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CInChIKey: WCLNGBQPTVENHV-MKQVXYPISA-NInChI: See more
-
1,4-屈醌CAS号: 100900-16-1分子式: C18H10O2 分子量: 258.28IUPAC Name: chrysene-1,4-dioneSMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C(=O)C=CC4=OInChIKey: UORKIKBNUWJNJF-UHFFFAOYSA-NInChI: 1S/C18H10O2/c19-16-9-10-17(20)18-14-6-5-11-3-1-2-4-12(11)13(14)7-8-15(16)18/h1-10H
-
β-烟酰胺腺嘌呤二核苷酸磷酸钠盐(NADP)分子式: C21H27N7NaO17P3.xH2O 分子量: 765.39(anhydrous)IUPAC Name: sodium;[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphateSMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N.[Na+]InChIKey: JNUMDLCHLVUHFS-QYZPTAICSA-MInChI: See more
首页
400-620-6333









