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Search Hits Limit:
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Isotopically Labeled
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Found 16 results

Search term: MF = 'C_{57}H_{70}N_{12}O_{9}S_{2}'
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5293243

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/t40-,43+,44+,45+,46-,47+,48+,49+/m1/s1
C57H70N12O9S21131.37073010300
24603568

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/t40-,43+,44-,45+,46+,47+,48+,49+/m1/s1
C57H70N12O9S21131.3707201500
64425

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)
C57H70N12O9S21131.3707185800
4470863

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/t40-,43+,44+,45+,46+,47+,48+,49+/m1/s1
C57H70N12O9S21131.37073300
30810552

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C57H70N12O9S2/c1-34(70)50-56(77)67-48(27-36-16-6-3-7-17-36)57(78)69(32-49(60)71)24-25-79-80-33-41(59)51(72)64-45(26-35-14-4-2-5-15-35)53(74)65-47(29-38-31-62-43-21-11-9-19-40(38)43)55(76)66-46(28-37-30-61-42-20-10-8-18-39(37)42)54(75)63-44(52(73)68-50)22-12-13-23-58/h2-11,14-21,30-31,34,41,44-48,50,61-62,70H,12-13,22-29,32-33,58-59H2,1H3,(H2,60,71)(H,63,75)(H,64,72)(H,65,74)(H,66,76)(H,67,77)(H,68,73)/t34-,41+,44-,45+,46-,47-,48-,50+/m1/s1
C57H70N12O9S21131.37073300
26330333

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)28-37-26-35-14-6-8-16-41(35)62-37)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-38(70)22-20-34)53(74)66-46(27-36-29-61-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,26,29,32,40,43-49,61-62,70H,10-11,18,23-25,27-28,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)
C57H70N12O9S21131.37073300
28530794

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/t40-,43+,44+,45-,46+,47+,48+,49+/m1/s1
C57H70N12O9S21131.37072300
60599598

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/t40-,43+,44+,45+,46-,47+,48-,49+/m1/s1
C57H70N12O9S21131.37072200
9989803

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C57H70N12O9S2/c1-34(70)50-56(77)67-48(27-36-16-6-3-7-17-36)57(78)69(32-49(60)71)24-25-79-80-33-41(59)51(72)64-45(26-35-14-4-2-5-15-35)53(74)65-47(29-38-31-62-43-21-11-9-19-40(38)43)55(76)66-46(28-37-30-61-42-20-10-8-18-39(37)42)54(75)63-44(52(73)68-50)22-12-13-23-58/h2-11,14-21,30-31,34,41,44-48,50,61-62,70H,12-13,22-29,32-33,58-59H2,1H3,(H2,60,71)(H,63,75)(H,64,72)(H,65,74)(H,66,76)(H,67,77)(H,68,73)/t34-,41+,44+,45+,46-,47+,48+,50+/m1/s1
C57H70N12O9S21131.37072100
23140374

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C57H70N12O9S2/c1-34(70)50-56(77)67-48(27-36-16-6-3-7-17-36)57(78)69(32-49(60)71)24-25-79-80-33-41(59)51(72)64-45(26-35-14-4-2-5-15-35)53(74)65-47(29-38-31-62-43-21-11-9-19-40(38)43)55(76)66-46(28-37-30-61-42-20-10-8-18-39(37)42)54(75)63-44(52(73)68-50)22-12-13-23-58/h2-11,14-21,30-31,34,41,44-48,50,61-62,70H,12-13,22-29,32-33,58-59H2,1H3,(H2,60,71)(H,63,75)(H,64,72)(H,65,74)(H,66,76)(H,67,77)(H,68,73)/t34-,41?,44-,45+,46-,47-,48-,50+/m1/s1
C57H70N12O9S21131.37072200
23167257

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/t40-,43+,44+,45+,46+,47+,48-,49-/m1/s1
C57H70N12O9S21131.37072200
24828751

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/t40?,43-,44-,45-,46+,47-,48-,49-/m0/s1
C57H70N12O9S21131.37071100
95680043

Double-bond stereo
InChI=1/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,61-78H,10-11,18,23-27,30-31,58-60H2,1-2H3/b50-44-,51-40-,52-43+,53-45+,54-46+,55-48-,56-47-,57-49+
C57H70N12O9S21131.37071100
128922319

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/t40-,43+,44+,45+,46-,47+,48+,49?/m1/s1
C57H70N12O9S21131.37071100

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