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Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 13 results

Search term: MF = 'C_{49}H_{75}N_{13}O_{12}'
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21258164

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
C49H75N13O121038.1997282700
10471383

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+
C49H75N13O121038.19973200
3324998

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)
C49H75N13O121038.19972100
4942840

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35+,36+,37-,39+/m0/s1
C49H75N13O121038.19972100
34244805

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C49H75N13O12/c1-5-27(4)39(46(71)58-35(22-30-24-53-25-55-30)47(72)62-20-10-14-36(62)44(69)61-40(48(73)74)29-11-7-6-8-12-29)60-43(68)34(21-28-15-17-31(63)18-16-28)57-45(70)38(26(2)3)59-42(67)33(13-9-19-54-49(51)52)56-41(66)32(50)23-37(64)65/h15-18,24-27,29,32-36,38-40,63H,5-14,19-23,50H2,1-4H3,(H,53,55)(H,56,66)(H,57,70)(H,58,71)(H,59,67)(H,60,68)(H,61,69)(H,64,65)(H,73,74)(H4,51,52,54)/t27-,32-,33-,34-,35-,36-,38-,39-,40-/m0/s1
C49H75N13O121038.19972200
61711454

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C49H75N13O12/c1-29(50)42(68)58-23-5-13-34(58)46(72)60-25-7-16-37(60)45(71)57-22-4-12-33(57)41(67)55-31(10-2-20-53-49(51)52)43(69)59-24-6-14-35(59)47(73)62-27-9-17-38(62)48(74)61-26-8-15-36(61)44(70)56-21-3-11-32(56)40(66)54-30(28-63)18-19-39(64)65/h28-38H,2-27,50H2,1H3,(H,54,66)(H,55,67)(H,64,65)(H4,51,52,53)/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
C49H75N13O121038.19972200
67158386

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18u,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
C49H75N13O121038.19972400
78445239

Double-bond stereo

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27?,28-,29+,30?,33?,34+,35+,36?,37?,39-/m1/s1
C49H75N13O121038.19971100
95639527

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,21,24,27,33,37,39,57-61,63-66,68-71H,6,12-13,16-17,20,22-23,25H2,1-5,7-8H3,(H,56,67)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18u,26-24+,38-21+,40-28+,41-29+,42-30+,44-34+,45-35+
C49H75N13O121038.19971100
10357646

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C49H75N13O12/c1-27(24-28(2)38(73-7)25-32-14-10-9-11-15-32)18-19-33-29(3)41(65)60-36(47(72)74-8)20-21-40(64)62(6)31(5)43(67)56-30(4)42(66)59-35(17-13-23-55-49(52)53)45(69)61-37(46(70)71)26-39(63)57-34(44(68)58-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,28-30,33-38H,5,12-13,16-17,20-23,25-26H2,1-4,6-8H3,(H,56,67)(H,57,63)(H,58,68)(H,59,66)(H,60,65)(H,61,69)(H,70,71)(H4,50,51,54)(H4,52,53,55)/b19-18+,27-24+/t28-,29-,30+,33-,34-,35-,36+,37+,38-/m0/s1
C49H75N13O121038.19971100
13112833

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34+,35+,36+,37-,39+/m0/s1
C49H75N13O121038.19971100
34018937

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29+,30+,33+,34-,35-,36-,37+,39-/m1/s1
C49H75N13O121038.19971100

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