Search

Exact match only
± (example: 123 ± 1)
±  
±    
±    
Options
Single/Multi-component


Isotopically Labeled


Additional Filters

Search Hits Limit:
19 hits found.
Search terms: MF = 'C_{22}H_{27}ClN_{2}O_{7}'
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2115263
InChI=1/C20H25ClN2O3.C2H2O4/c1-24-18-13-20(26-3)19(25-2)12-15(18)14-22-8-10-23(11-9-22)17-6-4-16(21)5-7-17;3-1(4)2(5)6/h4-7,12-13H,8-11,14H2,1-3H3;(H,3,4)(H,5,6)
C22H27ClN2O7466.9124400
3046811

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H27ClN2O7/c1-4-31-21(27)16-13-32-22(28)25(16)15-9-11-24(12-10-15)18(26)8-6-14-5-7-17(29-2)20(30-3)19(14)23/h5-8,15-16H,4,9-13H2,1-3H3
C22H27ClN2O7466.9122200
23933502

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H26N2O7.ClH/c1-8-9-5-4-6-12(25)10(9)7-11-13(8)17(26)15-16(24(2)3)18(27)14(21(23)30)20(29)22(15,31)19(11)28;/h4-6,8,13,15-17,25-28,31H,7H2,1-3H3,(H2,23,30);1H
C22H27ClN2O7466.9122200
8918196

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H27ClN2O7/c1-4-9-30-11-12-32-22(27)19-15(3)24-14(2)18(21(26)31-10-8-23)20(19)16-6-5-7-17(13-16)25(28)29/h5-7,13,20,24H,4,8-12H2,1-3H3
C22H27ClN2O7466.9122200
11724020

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H25ClN2O3.C2H2O4/c21-20-4-2-1-3-16(20)14-26-15-19(25)13-22-9-11-23(12-10-22)17-5-7-18(24)8-6-17;3-1(4)2(5)6/h1-8,19,24-25H,9-15H2;(H,3,4)(H,5,6)
C22H27ClN2O7466.9122200
20533029

Double-bond stereo
InChI=1/C22H26N2O3.ClHO4/c1-24(2)13-5-12-23-20-15-22(16-6-8-17(25-3)9-7-16)27-21-11-10-18(26-4)14-19(20)21;2-1(3,4)5/h6-11,14-15H,5,12-13H2,1-4H3;(H,2,3,4,5)/b23-20+;
C22H27ClN2O7466.9122200
21169632

Double-bond stereo
InChI=1/C22H26N2O3.ClHO4/c1-5-23-18-11-20-16(9-13(18)3)15(7-8-22(25)26)17-10-14(4)19(24-6-2)12-21(17)27-20;2-1(3,4)5/h9-12,23H,5-8H2,1-4H3,(H,25,26);(H,2,3,4,5)/b24-19-;
C22H27ClN2O7466.9122300
21242096

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H26N2O7.ClH/c1-21(30)10-5-4-6-13(25)14(10)18(27)15-11(21)7-12-16(24(2)3)17(26)9(20(23)29)8-22(12,31)19(15)28;/h4-6,11-12,16,25-26,28,30-31H,7-8H2,1-3H3,(H2,23,29);1H/t11-,12-,16-,21+,22-;/m0./s1
C22H27ClN2O7466.9121100
21282403

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H27ClN2O7/c1-24(10-17(30-4)31-5)20(26)18-14-6-7-22(32-14)11-25(21(27)19(18)22)13-8-12(23)15(28-2)9-16(13)29-3/h6-9,14,17-19H,10-11H2,1-5H3
C22H27ClN2O7466.9121100
23520676

Double-bond stereo
InChI=1/C22H26N2O3.ClHO4/c1-5-26-18-10-11-21-19(14-18)20(23-12-13-24(2)3)15-22(27-21)16-6-8-17(25-4)9-7-16;2-1(3,4)5/h6-11,14-15H,5,12-13H2,1-4H3;(H,2,3,4,5)/b23-20+;
C22H27ClN2O7466.9121100
23597746
InChI=1/C20H25ClN2O3.C2H2O4/c1-25-18-11-16(12-19(26-2)20(18)24)14-23-9-7-22(8-10-23)13-15-3-5-17(21)6-4-15;3-1(4)2(5)6/h3-6,11-12,24H,7-10,13-14H2,1-2H3;(H,3,4)(H,5,6)
C22H27ClN2O7466.9121100
23599285
InChI=1/C20H25ClN2O3.C2H2O4/c1-25-18-11-15(12-19(26-2)20(18)24)13-22-7-9-23(10-8-22)14-16-5-3-4-6-17(16)21;3-1(4)2(5)6/h3-6,11-12,24H,7-10,13-14H2,1-2H3;(H,3,4)(H,5,6)
C22H27ClN2O7466.9121100
23599288
InChI=1/C20H25ClN2O3.C2H2O4/c1-25-18-11-16(12-19(26-2)20(18)24)14-23-8-6-22(7-9-23)13-15-4-3-5-17(21)10-15;3-1(4)2(5)6/h3-5,10-12,24H,6-9,13-14H2,1-2H3;(H,3,4)(H,5,6)
C22H27ClN2O7466.9121100
24677078

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H27ClN2O7/c23-16-3-1-12(22-21(29)20(28)19(27)17(11-26)32-22)9-13(16)10-14-2-4-18(25-24-14)31-15-5-7-30-8-6-15/h1-4,9,15,17,19-22,26-29H,5-8,10-11H2/t17-,19-,20+,21-,22+/m1/s1
C22H27ClN2O7466.9121100
24811223
InChI=1/C22H27ClN2O7/c1-6-30-17-11-14(12-18(31-7-2)20(17)32-8-3)22(27)25-24-21(26)13-9-15(23)19(29-5)16(10-13)28-4/h9-12H,6-8H2,1-5H3,(H,24,26)(H,25,27)
C22H27ClN2O7466.9121100
8703627

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H27N2O3.ClHO4/c1-4-15-11-16-12-22(27-3,21(25)26-2)20-18(9-10-24(13-15)14-16)17-7-5-6-8-19(17)23-20;2-1(3,4)5/h5-8,11,13,16,23H,4,9-10,12,14H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
C22H27ClN2O7466.9121100
17339380

Double-bond stereo
InChI=1/C22H26N2O3.ClHO4/c1-5-23-18-11-20-16(9-13(18)3)15(7-8-22(25)26)17-10-14(4)19(24-6-2)12-21(17)27-20;2-1(3,4)5/h9-12,23H,5-8H2,1-4H3,(H,25,26);(H,2,3,4,5)/b24-19+;
C22H27ClN2O7466.9121100
13430205
InChI=1/C22H27ClN2O7/c1-13-10-18(19(23)14(2)20(13)30-12-29-7)31-15-8-9-16(25(27)28)17(11-15)24(6)21(26)32-22(3,4)5/h8-11H,12H2,1-7H3
C22H27ClN2O7466.9120000
14295059

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H27ClN2O7/c1-13-17(21(27)32-22(3,4)5)19(15-7-6-8-16(11-15)25(28)29)18(14(2)26)20(24-13)31-12-30-10-9-23/h6-8,11,19,24H,9-10,12H2,1-5H3
C22H27ClN2O7466.9120000
Feedback Form