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

Found 15 results

Search term: MF = 'C_{52}H_{74}N_{16}O_{15}S_{2}'
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65067

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
C52H74N16O15S21227.3722686500
8095673

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)
C52H74N16O15S21227.3722423200
24541000

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33+,34-,35-,36-,37-,38-/m0/s1
C52H74N16O15S21227.37223100
8389534

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C52H74N16O15S2/c1-25(2)41(50(81)66-39(21-71)49(80)65-38(20-70)48(79)62-35(44(75)67-40(23-85)51(82)83)15-27-17-58-32-7-4-3-6-30(27)32)68-46(77)34(14-26-9-11-29(72)12-10-26)61-47(78)37(19-69)64-45(76)36(16-28-18-56-24-59-28)63-43(74)33(8-5-13-57-52(54)55)60-42(73)31(53)22-84/h3-4,6-7,9-12,17-18,24-25,31,33-41,58,69-72,84-85H,5,8,13-16,19-23,53H2,1-2H3,(H,56,59)(H,60,73)(H,61,78)(H,62,79)(H,63,74)(H,64,76)(H,65,80)(H,66,81)(H,67,75)(H,68,77)(H,82,83)(H4,54,55,57)/t31-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
C52H74N16O15S21227.37222100
9782552

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(62-44(75)25-59-43(74)24-58-42(73)22-54)50(81)64-34(20-29-11-13-30(69)14-12-29)49(80)67-48(79)33(19-28-7-2-1-3-8-28)61-32(15-16-39(55)70)46(77)65-35(21-40(56)71)47(78)66-37/h1-3,7-8,11-14,31-38,61,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,62,75)(H,63,82)(H,64,81)(H,65,77)(H,66,78)(H,67,79,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
C52H74N16O15S21227.37222100
58780781

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36+,37-,38-/m0/s1
C52H74N16O15S21227.37221100
58785164

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32+,33-,34-,35-,36-,37-,38-/m0/s1
C52H74N16O15S21227.37221100
58825181

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H74N16O15S2/c1-67(52(57)83)50(81)32(10-5-6-18-53)62-49(80)38-11-7-19-68(38)51(82)37-27-85-84-26-36(60-43(74)25-59-42(73)24-58-41(72)23-54)48(79)64-34(21-29-12-14-30(69)15-13-29)46(77)63-33(20-28-8-3-2-4-9-28)45(76)61-31(16-17-39(55)70)44(75)65-35(22-40(56)71)47(78)66-37/h2-4,8-9,12-15,31-38,69H,5-7,10-11,16-27,53-54H2,1H3,(H2,55,70)(H2,56,71)(H2,57,83)(H,58,72)(H,59,73)(H,60,74)(H,61,76)(H,62,80)(H,63,77)(H,64,79)(H,65,75)(H,66,78)/t31-,32-,33-,34-,35-,36+,37+,38-/m0/s1
C52H74N16O15S21227.37221100
59650722

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31?,32-,33-,34-,35-,36-,37-,38-/m0/s1
C52H74N16O15S21227.37221100
60599597

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37+,38-/m0/s1
C52H74N16O15S21227.37221100
68057605

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H74N16O15S2/c53-17-5-4-9-37(45(58)76)68(25-41(57)72)52(83)38-10-6-18-67(38)51(82)36-27-85-84-26-35(61-44(75)24-60-43(74)23-59-42(73)22-54)50(81)64-33(20-29-11-13-30(69)14-12-29)48(79)63-32(19-28-7-2-1-3-8-28)47(78)62-31(15-16-39(55)70)46(77)65-34(21-40(56)71)49(80)66-36/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H2,58,76)(H,59,73)(H,60,74)(H,61,75)(H,62,78)(H,63,79)(H,64,81)(H,65,77)(H,66,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
C52H74N16O15S21227.37221100
95565998

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,16,21-25,35,58-66,69-79,81-83H,4-6,9-10,15,17-20,26-27,53-57H2,(H,67,80)/b39-16-,40-21-,41-23-,42-22-,43-24-,44-25+,45-31-,46-32+,47-33+,48-34+,50-36-,51-38-,52-37-
C52H74N16O15S21227.37221100
113607340

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37+,38+/m0/s1
C52H74N16O15S21227.37221100
129181342

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33+,34-,35-,36+,37+,38+/m0/s1
C52H74N16O15S21227.37221200

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