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Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 16 results

Search term: MF = 'C_{55}H_{75}N_{17}O_{13}'
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
554269

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
C55H75N17O131182.290148601410
33562

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)
C55H75N17O131182.29012212600
17346891

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42+,43-/m0/s1
C55H75N17O131182.290110900
57260370

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38+,39-,40-,41-,42-,43-/m0/s1
C55H75N17O131182.29014200
32696527

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)61-25-44(56)75)66-46(77)26-62-47(78)39(20-30-11-13-34(74)14-12-30)68-52(83)42(27-73)71-51(82)40(22-32-21-31-7-3-4-8-35(31)64-32)70-50(81)41(23-33-24-59-28-63-33)69-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,21,24,28-29,36-43,64,73-74H,5-6,9-10,15-20,22-23,25-27H2,1-2H3,(H2,56,75)(H,59,63)(H,61,84)(H,62,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,79)(H,70,81)(H,71,82)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
C55H75N17O131182.29013300
58984320

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38?,39+,40-,41+,42-,43-/m1/s1
C55H75N17O131182.29012200
62842821

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40-,41+,42-,43-/m0/s1
C55H75N17O131182.29012100
23162765

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C55H75N17O13/c1-29(2)20-39(49(80)65-38(10-6-18-59-55(56)57)54(85)72-19-7-11-44(72)53(84)71-70-30(3)74)64-46(77)26-61-47(78)40(21-31-12-14-34(75)15-13-31)66-52(83)43(27-73)69-50(81)41(22-32-24-60-36-9-5-4-8-35(32)36)67-51(82)42(23-33-25-58-28-62-33)68-48(79)37-16-17-45(76)63-37/h4-5,8-9,12-15,24-25,28-29,37-44,60,73,75H,6-7,10-11,16-23,26-27H2,1-3H3,(H,58,62)(H,61,78)(H,63,76)(H,64,77)(H,65,80)(H,66,83)(H,67,82)(H,68,79)(H,69,81)(H,70,74)(H,71,84)(H4,56,57,59)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
C55H75N17O131182.29012200
30846061

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C55H75N17O13/c1-29(2)19-41(54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)70-48(79)36(9-5-17-60-55(57)58)66-46(77)26-63-47(78)38(20-30-11-13-33(74)14-12-30)67-52(83)42(27-73)71-50(81)39(21-31-23-61-35-8-4-3-7-34(31)35)68-51(82)40(22-32-24-59-28-64-32)69-49(80)37-15-16-45(76)65-37/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,83)(H,68,82)(H,69,80)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
C55H75N17O131182.29012200
31133637

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C55H75N17O13/c1-29(2)19-37(48(79)67-36(9-5-16-61-55(57)58)54(85)72-18-6-10-42(72)52(83)63-25-44(56)76)66-45(77)26-64-47(78)38(20-30-11-13-33(74)14-12-30)68-51(82)41(27-73)71-49(80)39(21-31-23-62-35-8-4-3-7-34(31)35)69-50(81)40(22-32-24-59-28-65-32)70-53(84)46-43(75)15-17-60-46/h3-4,7-8,11-14,23-24,28-29,36-42,46,60,62,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,76)(H,59,65)(H,63,83)(H,64,78)(H,66,77)(H,67,79)(H,68,82)(H,69,81)(H,70,84)(H,71,80)(H4,57,58,61)/t36-,37-,38-,39-,40-,41-,42+,46-/m0/s1
C55H75N17O131182.29012200
21250891

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,29,36-43,61,73-74H,5-6,9-10,15-22,25-28H2,1-2H3,(H2,56,75)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
C55H75N17O131182.29011100
95782000

Double-bond stereo
InChI=1/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,16,23-26,28-29,61-63,65-71,73-85H,5-6,9-10,15,17-22,27,56H2,1-2H3,(H,59,64)(H4,57,58,60)
C55H75N17O131182.29011100
128910207

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40+,41?,42-,43-/m0/s1
C55H75N17O131182.29011100
129310334

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39+,40+,41+,42+,43+/m0/s1
C55H75N17O131182.29011100
34249066

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38?,39+,40-,41?,42-,43-/m1/s1
C55H75N17O131182.29011100

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