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Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 18 results

Search term: MF = 'C_{46}H_{65}N_{13}O_{11}S_{2}'
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16736539

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
C46H65N13O11S21040.218834390150
23278682

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H65N13O11S2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51)/t29-,30+,31+,32+,33+,34+,38+/m1/s1
C46H65N13O11S21040.2188212200
21468773

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29+,30?,31-,32-,33-,34-,35-/m0/s1
C46H65N13O11S21040.218813800
5741

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)
C46H65N13O11S21040.21881215200
52564059

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29+,30+,31-,32-,33-,34-,35-/m0/s1
C46H65N13O11S21040.21885900
23278681

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H65N13O11S2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51)/t29-,30-,31-,32-,33-,34-,38-/m0/s1
C46H65N13O11S21040.21884400
4945815

Double-bond stereo

7 of 11 defined stereocentres - 7/11 defined
InChI=1/C46H65N13O11S2/c1-5-33(62)54-29(21-45-15-16-46(70)36(72-46)35(45)71-45)40(66)56-27(19-25-11-7-6-8-12-25)39(65)58-34(23(2)3)42(68)57-28(20-31(47)60)38(64)53-24(4)43(69)59-18-10-14-30(59)41(67)55-26(13-9-17-51-44(49)50)37(63)52-22-32(48)61/h6-9,11-12,15-17,23-24,26-30,34-36,70H,5,10,13-14,18-22H2,1-4H3,(H2,47,60)(H2,48,61)(H,52,63)(H,53,64)(H,54,62)(H,55,67)(H,56,66)(H,57,68)(H,58,65)(H4,49,50,51)/b17-9-/t24-,26-,27-,28-,29-,30-,34-,35?,36?,45?,46?/m0/s1
C46H65N13O11S21040.21883300
30844425

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H65N13O11S2/c1-2-8-29-40(65)57-33(23-36(47)61)43(68)58-34(45(70)59-19-7-12-35(59)44(69)55-30(11-6-18-51-46(49)50)39(64)52-24-37(48)62)25-72-71-20-17-38(63)53-31(22-27-13-15-28(60)16-14-27)41(66)56-32(42(67)54-29)21-26-9-4-3-5-10-26/h3-5,9-10,13-16,29-35,60H,2,6-8,11-12,17-25H2,1H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,67)(H,55,69)(H,56,66)(H,57,65)(H,58,68)(H4,49,50,51)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
C46H65N13O11S21040.21882200
23168737

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H65N13O11S2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51)/t29-,30-,31+,32+,33+,34+,38-/m0/s1
C46H65N13O11S21040.21882200
23168852

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C46H65N13O11S2/c1-2-8-29-40(65)57-33(23-36(47)61)43(68)58-34(45(70)59-19-7-12-35(59)44(69)55-30(11-6-18-51-46(49)50)39(64)52-24-37(48)62)25-72-71-20-17-38(63)53-31(22-27-13-15-28(60)16-14-27)41(66)56-32(42(67)54-29)21-26-9-4-3-5-10-26/h3-5,9-10,13-16,29-35,60H,2,6-8,11-12,17-25H2,1H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,67)(H,55,69)(H,56,66)(H,57,65)(H,58,68)(H4,49,50,51)/t29?,30-,31-,32+,33+,34+,35+/m0/s1
C46H65N13O11S21040.21882200
23171737

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H65N13O11S2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51)/t29-,30+,31-,32-,33-,34+,38+/m0/s1
C46H65N13O11S21040.21882200
76714378

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29+,30-,31-,32-,33-,34-,35-/m0/s1
C46H65N13O11S21040.21882200
77498820

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31-,32+,33-,34-,35-/m0/s1
C46H65N13O11S21040.21882100
95737065

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,17,22-23,33,52-57,60-67,69-70H,7-9,14-16,18-21,24-25,47-51H2,(H,58,68)/b36-17-,37-22-,38-23-,39-28-,40-29-,41-30+,42-32+,43-31+,45-35-,46-34-
C46H65N13O11S21040.21881100
111313685

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31-,32+,33-,34-,35-/m1/s1
C46H65N13O11S21040.21881100
58825170

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C46H65N13O11S2/c1-58(46(51)70)44(68)30(15-8-9-19-47)53-43(67)35-16-10-20-59(35)45(69)34-25-72-71-24-28(48)38(62)54-31(21-26-11-4-2-5-12-26)41(65)55-32(22-27-13-6-3-7-14-27)40(64)52-29(17-18-36(49)60)39(63)56-33(23-37(50)61)42(66)57-34/h2-7,11-14,28-35H,8-10,15-25,47-48H2,1H3,(H2,49,60)(H2,50,61)(H2,51,70)(H,52,64)(H,53,67)(H,54,62)(H,55,65)(H,56,63)(H,57,66)/t28-,29?,30+,31-,32+,33+,34-,35-/m0/s1
C46H65N13O11S21040.21881100
32698926

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31+,32-,33-,34-,35-/m0/s1
C46H65N13O11S21040.21881100

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