液晶
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4-正丁基苯甲酸 4-己氧基苯酯CAS号 : 38454-28-3 Compound CID : 3084703分子式: C23H30O3 分子量: 354.49IUPAC Name: (4-hexoxyphenyl) 4-butylbenzoateSMILES: CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCInChIKey: QZYDWVAYBOXUCW-UHFFFAOYSA-NInChI: InChI=1S/C23H30O3/c1-3-5-7-8-18-25-21-14-16-22(17-15-21)26-23(24)20-12-10-19(11-13-20)9-6-4-2/h10-17H,3-9,18H2,1-2H3
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4-碘-4’-硝基联苯CAS号 : 29170-08-9 Compound CID : 120142分子式: C12H8INO2 分子量: 325.107IUPAC Name: 1-(4-iodophenyl)-4-nitrobenzeneSMILES: C1=CC(=CC=C1C2=CC=C(C=C2)I)[N+](=O)[O-]InChIKey: YEDVRRNLTGKJSW-UHFFFAOYSA-NInChI: InChI=1S/C12H8INO2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H
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4'-丁氧基苯亚甲基-4-氰基苯胺CAS号 : 36405-17-1 Compound CID : 118967分子式: C18H18N2O 分子量: 278.36IUPAC Name: 4-[(4-butoxyphenyl)methylideneamino]benzonitrileSMILES: CCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#NInChIKey: JWLPZJPDDBBWQD-UHFFFAOYSA-NInChI: InChI=1S/C18H18N2O/c1-2-3-12-21-18-10-6-16(7-11-18)14-20-17-8-4-15(13-19)5-9-17/h4-11,14H,2-3,12H2,1H3
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邻苯二甲酸胆固醇氢酯分子式: C35H50O4 分子量: 534.78IUPAC Name: 2-[[(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]oxycarbonyl]benzoic acidSMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5C(=O)O)C)CInChIKey: DNRPYEJJPBQNQB-MMFRCHASSA-NInChI: InChI=1S/C35H50O4/c1-22(2)9-8-10-23(3)29-15-16-30-28-14-13-24-21-25(17-19-34(24,4)31(28)18-20-35(29,30)5)39-33(38)27-12-7-6-11-26(27)32(36)37/h6-7,11-13,22-23,25,28-31H,8-10,14-21H2,1-5H3,(H,36,37)/t23-,25+,28+,29-,30+,31+,34+,35-/m1/s1
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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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胆固醇丁基碳酸酯CAS号 : 41371-14-6 Compound CID : 44630193分子式: C32H54O3 分子量: 486.78IUPAC Name: butyl [(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] carbonateSMILES: CCCCOC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CInChIKey: PHGPOYKRNJWODC-PTHRTHQKSA-NInChI: InChI=1S/C32H54O3/c1-7-8-20-34-30(33)35-25-16-18-31(5)24(21-25)12-13-26-28-15-14-27(23(4)11-9-10-22(2)3)32(28,6)19-17-29(26)31/h12,22-23,25-29H,7-11,13-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/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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胆固醇异丙基碳酸酯CAS号 : 78916-25-3 Compound CID : 44630192分子式: C31H52O3 分子量: 472.75IUPAC 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] propan-2-yl carbonateSMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)OC(C)C)C)CInChIKey: DFGCTZUMTALIQV-GTPODGLVSA-NInChI: InChI=1S/C31H52O3/c1-20(2)9-8-10-22(5)26-13-14-27-25-12-11-23-19-24(34-29(32)33-21(3)4)15-17-30(23,6)28(25)16-18-31(26,27)7/h11,20-22,24-28H,8-10,12-19H2,1-7H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1
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正辛酸胆固醇酯分子式: C35H60O2 分子量: 512.86IUPAC 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] octanoateSMILES: CCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CInChIKey: SKLBBRQPVZDTNM-SJTWHRLHSA-NInChI: InChI=1S/C35H60O2/c1-7-8-9-10-11-15-33(36)37-28-20-22-34(5)27(24-28)16-17-29-31-19-18-30(26(4)14-12-13-25(2)3)35(31,6)23-21-32(29)34/h16,25-26,28-32H,7-15,17-24H2,1-6H3/t26-,28+,29+,30-,31+,32+,34+,35-/m1/s1
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氢化肉桂酸胆固醇酯CAS号 : 14914-99-9 Compound CID : 20055614分子式: C36H54O2 分子量: 518.83IUPAC 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] 3-phenylpropanoateSMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC5=CC=CC=C5)C)CInChIKey: KPNKAGLPVPTLGB-ZOJFKXTHSA-NInChI: InChI=1S/C36H54O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-13,15,25-26,29-33H,9-11,14,16-24H2,1-5H3/t26-,29+,30+,31-,32+,33+,35+,36-/m1/s1