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Found 82 results

Search term: MF = 'C_{28}H_{31}ClN_{6}O_{4}'
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
181537

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31ClN6O4/c1-31-25-24(26(36)32(2)28(31)38)35(19-30-25)18-23(39-27(37)21-8-4-3-5-9-21)17-34-13-11-33(12-14-34)16-20-7-6-10-22(29)15-20/h3-10,15,19,23H,11-14,16-18H2,1-2H3
C28H31ClN6O4551.0365131000
181539

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31ClN6O4/c1-31-25-24(26(36)32(2)28(31)38)35(19-30-25)18-23(39-27(37)21-6-4-3-5-7-21)17-34-14-12-33(13-15-34)16-20-8-10-22(29)11-9-20/h3-11,19,23H,12-18H2,1-2H3
C28H31ClN6O4551.0365131100
181540

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31ClN6O4/c1-31-25-24(26(36)32(2)28(31)38)35(19-30-25)18-22(39-27(37)20-8-4-3-5-9-20)17-34-14-12-33(13-15-34)16-21-10-6-7-11-23(21)29/h3-11,19,22H,12-18H2,1-2H3
C28H31ClN6O4551.0365121000
2426185

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31ClN6O4/c1-18-12-14-23(38-18)26(28(37)30-21-9-4-3-5-10-21)34(16-20-8-6-7-11-22(20)29)25(36)17-35-32-27(31-33-35)24-15-13-19(2)39-24/h6-8,11-15,21,26H,3-5,9-10,16-17H2,1-2H3,(H,30,37)
C28H31ClN6O4551.036512600
2425896

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31ClN6O4/c1-18-10-15-23(39-18)25(27(37)30-28(2,3)4)34(16-20-8-6-7-9-22(20)29)24(36)17-35-32-26(31-33-35)19-11-13-21(38-5)14-12-19/h6-15,25H,16-17H2,1-5H3,(H,30,37)
C28H31ClN6O4551.036511600
103835524
InChI=1/C28H30N6O4.ClH/c1-6-25(35)30-19-8-7-9-20(15-19)34-26(36)14-18(2)22-17-29-28(32-27(22)34)31-23-11-10-21(16-24(23)37-5)38-13-12-33(3)4;/h6-11,14-17H,1,12-13H2,2-5H3,(H,30,35)(H,29,31,32);1H
C28H31ClN6O4551.03655500
107754895

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C28H31ClN6O4/c29-22-7-5-20(6-8-22)28(38)35-16-24-21-3-1-4-23(15-21)39-14-2-11-34(13-10-30-27(37)25(24)17-35)26(36)9-12-33-18-31-32-19-33/h1,3-8,15,18-19,24-25H,2,9-14,16-17H2,(H,30,37)/t24-,25+/m1/s1
C28H31ClN6O4551.03654400
23342037

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31ClN6O4/c1-16-12-20(35-10-7-19(8-11-35)32-28(38)39-2)14-22-25(16)34-26(33-22)24-21(6-9-30-27(24)37)31-15-23(36)17-4-3-5-18(29)13-17/h3-6,9,12-14,19,23,36H,7-8,10-11,15H2,1-2H3,(H,32,38)(H,33,34)(H2,30,31,37)/t23-/m1/s1
C28H31ClN6O4551.03654300
367113
InChI=1/C28H31ClN6O4/c1-30-25(31-2)20-11-8-17(14-23(20)38-5)34-27(36)16-7-10-19(22(29)13-16)28(37)35-18-9-12-21(24(15-18)39-6)26(32-3)33-4/h7-15H,1-6H3,(H,30,31)(H,32,33)(H,34,36)(H,35,37)
C28H31ClN6O4551.03654300
24671341

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31ClN6O4/c1-17-12-20(34-8-10-35(11-9-34)24(37)16-39-2)14-22-26(17)33-27(32-22)25-21(6-7-30-28(25)38)31-15-23(36)18-4-3-5-19(29)13-18/h3-7,12-14,23,36H,8-11,15-16H2,1-2H3,(H,32,33)(H2,30,31,38)/t23-/m1/s1
C28H31ClN6O4551.03654300
24678417

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31ClN6O4/c1-3-39-28(38)35-11-9-34(10-12-35)20-13-17(2)25-22(15-20)32-26(33-25)24-21(7-8-30-27(24)37)31-16-23(36)18-5-4-6-19(29)14-18/h4-8,13-15,23,36H,3,9-12,16H2,1-2H3,(H,32,33)(H2,30,31,37)/t23-/m1/s1
C28H31ClN6O4551.03654300
62731580

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31ClN6O4/c29-20-7-8-22(24(36)16-20)26(38)34-13-9-28(10-14-34)17-21-18-35(33-32-21)12-4-11-30-25(37)23(31-27(28)39)15-19-5-2-1-3-6-19/h1-3,5-8,16,18,23,36H,4,9-15,17H2,(H,30,37)(H,31,39)/t23-/m0/s1
C28H31ClN6O4551.03654300
62731649

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31ClN6O4/c29-20-7-8-24(36)22(16-20)26(38)34-13-9-28(10-14-34)17-21-18-35(33-32-21)12-4-11-30-25(37)23(31-27(28)39)15-19-5-2-1-3-6-19/h1-3,5-8,16,18,23,36H,4,9-15,17H2,(H,30,37)(H,31,39)/t23-/m0/s1
C28H31ClN6O4551.03654300
62732990

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C28H31ClN6O4/c29-20-8-6-19(7-9-20)28(10-2-1-3-11-28)27(37)34-16-22-24(17-34)39-18-21-15-35(33-32-21)13-14-38-23-5-4-12-30-25(23)26(36)31-22/h4-9,12,15,22,24H,1-3,10-11,13-14,16-18H2,(H,31,36)/t22-,24-/m0/s1
C28H31ClN6O4551.03654300
58956431
InChI=1/C28H31ClN6O4/c1-16-12-21(23(38-4)13-19(16)25(36)31-18-8-10-34(2)11-9-18)32-28-30-14-20(29)26(33-28)39-22-7-5-6-17-15-35(3)27(37)24(17)22/h5-7,12-14,18H,8-11,15H2,1-4H3,(H,31,36)(H,30,32,33)
C28H31ClN6O4551.03653300
58985019

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31ClN6O4/c1-39-28-30-15-21(16-31-28)19-2-5-23(6-3-19)34-10-12-35(13-11-34)26(37)18-33-9-8-20(17-33)27(38)32-22-4-7-25(36)24(29)14-22/h2-7,14-16,20,36H,8-13,17-18H2,1H3,(H,32,38)/t20-/m1/s1
C28H31ClN6O4551.03653300
24632856

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31ClN6O4/c1-18-14-20-15-21(8-9-23(20)39-18)31-28(33-26(37)19-7-10-24(29)30-16-19)32-22-6-2-3-13-35(27(22)38)17-25(36)34-11-4-5-12-34/h7-10,14-16,22H,2-6,11-13,17H2,1H3,(H2,31,32,33,37)/t22-/m0/s1
C28H31ClN6O4551.03653300
9802926

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31ClN6O4/c1-18-12-20(33-39-18)15-37-24-10-9-19(13-22(24)29)32-28-27-23(30-17-31-28)7-4-8-25(27)38-16-21-6-5-11-35(21)26(36)14-34(2)3/h4,7-10,12-13,17,21H,5-6,11,14-16H2,1-3H3,(H,30,31,32)/t21-/m1/s1
C28H31ClN6O4551.03652100
58895724

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C28H31ClN6O4/c1-16-2-4-17(5-3-16)13-35-25-21(19-8-20(29)12-30-11-19)9-18(26-32-28(36)39-33-26)10-22(25)31-27(35)34-6-7-38-24-15-37-14-23(24)34/h8-12,16-17,23-24H,2-7,13-15H2,1H3,(H,32,33,36)/t16-,17-,23?,24?
C28H31ClN6O4551.03652200
76793642

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C28H31ClN6O4/c29-22-13-30-35-25-12-24(32-28(22)35)33-15-21(11-20(33)16-36)38-7-1-2-8-39-23-10-19(31-25)9-18-5-6-26(37)34(27(18)23)14-17-3-4-17/h1-2,9-10,12-13,17,20-21,31,36H,3-8,11,14-16H2/b2-1+/t20-,21-/m0/s1
C28H31ClN6O4551.03652200
12345

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