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苯乙酸胆固醇酯CAS号 : 33998-26-4分子式: C35H52O2 分子量: 504.8IUPAC 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] 2-phenylacetateSMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC5=CC=CC=C5)C)CInChIKey: JHFRODPXYCPTCM-WASXNZKASA-NInChI: InChI=1S/C35H52O2/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-23-28(37-33(36)22-26-12-7-6-8-13-26)18-20-34(27,4)32(29)19-21-35(30,31)5/h6-8,12-14,24-25,28-32H,9-11,15-23H2,1-5H3/t25-,28+,29+,30-,31+,32+,34+,35-/m1/s1
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胆固醇乙基碳酸酯CAS号 : 23836-43-3 Compound CID : 9981611分子式: C30H50O3 分子量: 458.73IUPAC 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] ethyl carbonateSMILES: CCOC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CInChIKey: VARVSEQINPNKDM-NXUCFJMCSA-NInChI: InChI=1S/C30H50O3/c1-7-32-28(31)33-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21-,23+,24+,25-,26+,27+,29+,30-/m1/s1
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IR 676碘化物CAS号 : 56289-64-6 Compound CID : 13394872分子式: C35H35IN2 分子量: 610.58IUPAC Name: (2Z)-1,1,3-trimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indole;iodideSMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=CC=C4C(C5=C(N4C)C=CC6=CC=CC=C65)(C)C)C.[I-]InChIKey: PXXBSYXTQAWFHV-UHFFFAOYSA-MInChI: InChI=1S/C35H35N2.HI/c1-34(2)30(36(5)28-22-20-24-14-10-12-16-26(24)32(28)34)18-8-7-9-19-31-35(3,4)33-27-17-13-11-15-25(27)21-23-29(33)37(31)6;/h7-23H,1-6H3;1H/q+1;/p-1
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镍(II)酞菁四磺酸 四钠盐CAS号 : 27835-99-0 Compound CID : 22836350分子式: C32H12N8Na4NiO12S4 分子量: 979.40IUPAC Name: tetrasodium;2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-6,15,24,34-tetrasulfonate;nickel(2+)SMILES: [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2c3nc(nc4n5[Ni]n6c(nc7nc(nc5c8cc(ccc48)S([O-])(=O)=O)c9cc(ccc79)S([O-])(=O)=O)c%10ccc(cc%10c6n3)S([O-])(=O)=O)c2c1InChIKey: UAMQBHBCNOEWGQ-UHFFFAOYSA-JInChI: InChI=1S/C32H16N8O12S4.4Na.Ni/c41-53(42,43)13-1-5-17-21(9-13)29-34-25(17)33-26-18-6-2-15(55(47,48)49)11-23(18)31(35-26)40-32-24-12-16(56(50,51)52)4-8-20(24)28(39-32)38-30-22-10-14(54(44,45)46)3-7-19(22)27(36-29)37-30;;;;;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);;;;;/q-2;4*+1;+2/p-4
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4-(3-吡咯基)丁酸CAS号 : 30000-61-4 Compound CID : 255668分子式: C8H11NO2 分子量: 153.18IUPAC Name: 4-(1H-pyrrol-3-yl)butanoic acidSMILES: C1=CNC=C1CCCC(=O)OInChIKey: ZILGRACWFSKIFU-UHFFFAOYSA-NInChI: InChI=1S/C8H11NO2/c10-8(11)3-1-2-7-4-5-9-6-7/h4-6,9H,1-3H2,(H,10,11)
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香豆素 102CAS号 : 41267-76-9 Compound CID : 94517分子式: C16H17NO2 分子量: 255.32IUPAC Name: 6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-oneSMILES: CC1=CC(=O)OC2=C1C=C3CCCN4C3=C2CCC4InChIKey: XHXMPURWMSJENN-UHFFFAOYSA-NInChI: InChI=1S/C16H17NO2/c1-10-8-14(18)19-16-12-5-3-7-17-6-2-4-11(15(12)17)9-13(10)16/h8-9H,2-7H2,1H3