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

Found 12 results

Search term: MF = 'C_{54}H_{85}NaO_{27}S'
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16738001

Charge

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C54H86O27S.Na/c1-22-39(76-45-38(64)41(33(59)26(20-56)74-45)77-44-37(63)40(70-9)32(58)25(19-55)73-44)35(61)36(62)43(72-22)78-42-34(60)27(81-82(67,68)69)21-71-46(42)75-30-13-15-50(6)24-18-29(57)54-47(65)80-52(8,31-12-14-48(2,3)79-31)53(54,66)17-16-51(54,7)23(24)10-11-28(50)49(30,4)5;/h18,22-23,25-46,55-64,66H,10-17,19-21H2,1-9H3,(H,67,68,69);/q;+1/p-1/t22-,23-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46+,50-,51+,52+,53+,54-;/m1./s1
C54H85NaO27S1221.2913121300
107676

Charge

0 of 29 defined stereocentres - 0/29 defined
InChI=1/C54H86O27S.Na/c1-22-39(76-45-38(64)41(33(59)26(20-56)74-45)77-44-37(63)40(70-9)32(58)25(19-55)73-44)35(61)36(62)43(72-22)78-42-34(60)27(81-82(67,68)69)21-71-46(42)75-30-13-15-50(6)24-18-29(57)54-47(65)80-52(8,31-12-14-48(2,3)79-31)53(54,66)17-16-51(54,7)23(24)10-11-28(50)49(30,4)5;/h18,22-23,25-46,55-64,66H,10-17,19-21H2,1-9H3,(H,67,68,69);/q;+1/p-1
C54H85NaO27S1221.291273200
23326662

Charge

28 of 29 defined stereocentres - 28/29 defined
InChI=1/C54H86O27S.Na/c1-22-39(76-45-38(64)41(33(59)26(20-56)74-45)77-44-37(63)40(70-9)32(58)25(19-55)73-44)35(61)36(62)43(72-22)78-42-34(60)27(81-82(67,68)69)21-71-46(42)75-30-13-15-50(6)24-18-29(57)54-47(65)80-52(8,31-12-14-48(2,3)79-31)53(54,66)17-16-51(54,7)23(24)10-11-28(50)49(30,4)5;/h18,22-23,25-46,55-64,66H,10-17,19-21H2,1-9H3,(H,67,68,69);/q;+1/p-1/t22-,23-,25-,26-,27-,28+,29+,30+,31?,32-,33-,34+,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46+,50-,51+,52+,53+,54+;/m1./s1
C54H85NaO27S1221.29132200
27024656

Charge

27 of 28 defined stereocentres - 27/28 defined
InChI=1/C54H86O27S.Na/c1-22(2)10-13-30(57)52(8)53(67)17-16-51(7)24-11-12-29-49(4,5)32(14-15-50(29,6)25(24)18-31(58)54(51,53)48(66)80-52)76-47-43(35(61)28(21-72-47)81-82(68,69)70)79-44-37(63)36(62)40(23(3)73-44)77-46-39(65)42(34(60)27(20-56)75-46)78-45-38(64)41(71-9)33(59)26(19-55)74-45;/h18,22-24,26-29,31-47,55-56,58-65,67H,10-17,19-21H2,1-9H3,(H,68,69,70);/q;+1/p-1/t23-,24-,26-,27-,28-,29+,31+,32+,33-,34-,35+,36-,37-,38-,39-,40-,41+,42+,43-,44+,45+,46+,47+,50-,51+,52+,53+,54?;/m1./s1
C54H85NaO27S1221.29132200
29213882

Charge

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C54H86O27S.Na/c1-22(2)10-13-30(57)52(8)53(67)17-16-51(7)24-11-12-29-49(4,5)32(14-15-50(29,6)25(24)18-31(58)54(51,53)48(66)80-52)76-47-43(35(61)28(21-72-47)81-82(68,69)70)79-44-37(63)36(62)40(23(3)73-44)77-46-39(65)42(34(60)27(20-56)75-46)78-45-38(64)41(71-9)33(59)26(19-55)74-45;/h18,22-24,26-29,31-47,55-56,58-65,67H,10-17,19-21H2,1-9H3,(H,68,69,70);/q;+1/p-1/t23-,24-,26-,27-,28-,29+,31+,32+,33-,34-,35+,36-,37-,38-,39-,40-,41+,42+,43-,44+,45+,46+,47+,50-,51+,52+,53+,54-;/m1./s1
C54H85NaO27S1221.29132200
29213883

Charge

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C54H86O27S.Na/c1-22-40(77-46-39(65)42(34(60)26(20-56)75-46)78-45-38(64)41(71-9)33(59)25(19-55)74-45)36(62)37(63)44(73-22)79-43-35(61)27(81-82(68,69)70)21-72-47(43)76-32-14-16-51(6)24-18-31(58)54-29(53(8,80-48(54)66)30(57)13-15-49(2,3)67)12-17-52(54,7)23(24)10-11-28(51)50(32,4)5;/h18,22-23,25-29,31-47,55-56,58-65,67H,10-17,19-21H2,1-9H3,(H,68,69,70);/q;+1/p-1/t22-,23-,25-,26-,27-,28+,29-,31+,32+,33-,34-,35+,36-,37-,38-,39-,40-,41+,42+,43-,44+,45+,46+,47+,51-,52+,53-,54+;/m1./s1
C54H85NaO27S1221.29132200
29214076

Charge

Double-bond stereo

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C54H86O27S.Na/c1-23-39(77-45-38(64)41(33(59)27(21-56)75-45)78-44-37(63)40(71-9)32(58)26(20-55)74-44)35(61)36(62)43(73-23)79-42-34(60)28(81-82(68,69)70)22-72-46(42)76-31-13-16-50(6)25-19-30(57)54-47(65)80-52(8,15-10-14-48(2,3)66)53(54,67)18-17-51(54,7)24(25)11-12-29(50)49(31,4)5;/h10,15,19,23-24,26-46,55-64,66-67H,11-14,16-18,20-22H2,1-9H3,(H,68,69,70);/q;+1/p-1/b15-10+;/t23-,24-,26-,27-,28-,29+,30+,31+,32-,33-,34+,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46+,50-,51+,52+,53+,54-;/m1./s1
C54H85NaO27S1221.29132200
29214078

Charge

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C54H86O27S.Na/c1-22(2)26(57)12-15-52(8)53(67)17-16-51(7)24-10-11-30-49(4,5)32(13-14-50(30,6)25(24)18-31(58)54(51,53)48(66)80-52)76-47-43(35(61)29(21-72-47)81-82(68,69)70)79-44-37(63)36(62)40(23(3)73-44)77-46-39(65)42(34(60)28(20-56)75-46)78-45-38(64)41(71-9)33(59)27(19-55)74-45;/h18,23-24,26-47,55-65,67H,1,10-17,19-21H2,2-9H3,(H,68,69,70);/q;+1/p-1/t23-,24-,26+,27-,28-,29-,30+,31+,32+,33-,34-,35+,36-,37-,38-,39-,40-,41+,42+,43-,44+,45+,46+,47+,50-,51+,52+,53+,54-;/m1./s1
C54H85NaO27S1221.29132200
29214079

Charge

27 of 29 defined stereocentres - 27/29 defined
InChI=1/C54H86O27S.Na/c1-22(2)10-13-30(57)52(8)53(67)17-16-51(7)24-11-12-29-49(4,5)32(14-15-50(29,6)25(24)18-31(58)54(51,53)48(66)80-52)76-47-43(35(61)28(21-72-47)81-82(68,69)70)79-44-37(63)36(62)40(23(3)73-44)77-46-39(65)42(34(60)27(20-56)75-46)78-45-38(64)41(71-9)33(59)26(19-55)74-45;/h10,18,23-24,26-47,55-65,67H,11-17,19-21H2,1-9H3,(H,68,69,70);/q;+1/p-1/t23-,24-,26-,27-,28-,29+,30?,31+,32+,33-,34-,35+,36-,37-,38-,39-,40-,41+,42+,43-,44+,45?,46+,47+,50-,51+,52+,53+,54-;/m1./s1
C54H85NaO27S1221.29132200
34991187

Charge

28 of 29 defined stereocentres - 28/29 defined
InChI=1/C54H86O27S.Na/c1-22-39(76-45-38(64)41(33(59)26(20-56)74-45)77-44-37(63)40(70-9)32(58)25(19-55)73-44)35(61)36(62)43(72-22)78-42-34(60)27(81-82(67,68)69)21-71-46(42)75-30-13-15-50(6)24-18-29(57)54-47(65)80-52(8,31-12-14-48(2,3)79-31)53(54,66)17-16-51(54,7)23(24)10-11-28(50)49(30,4)5;/h18,22-23,25-46,55-64,66H,10-17,19-21H2,1-9H3,(H,67,68,69);/q;+1/p-1/t22-,23-,25+,26+,27-,28+,29+,30+,31?,32+,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43+,44+,45+,46+,50-,51+,52+,53+,54-;/m1./s1
C54H85NaO27S1221.29131100
28285450

Charge

27 of 28 defined stereocentres - 27/28 defined
InChI=1/C54H86O27S.Na/c1-22(2)10-13-30(57)52(8)53(67)17-16-51(7)24-11-12-29-49(4,5)32(14-15-50(29,6)25(24)18-31(58)54(51,53)48(66)80-52)76-47-43(35(61)28(21-72-47)81-82(68,69)70)79-44-37(63)36(62)40(23(3)73-44)77-46-39(65)42(34(60)27(20-56)75-46)78-45-38(64)41(71-9)33(59)26(19-55)74-45;/h18,22-24,26-29,31-47,55-56,58-65,67H,10-17,19-21H2,1-9H3,(H,68,69,70);/q;+1/p-1/t23-,24?,26-,27-,28-,29+,31+,32+,33-,34-,35-,36+,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,50-,51+,52+,53+,54-;/m1./s1/rC54H85NaO27S/c1-22(2)10-13-30(58)52(8)53(68)17-16-51(7)24-11-12-29-49(4,5)32(14-15-50(29,6)25(24)18-31(59)54(51,53)48(67)80-52)76-47-43(35(62)28(21-72-47)81-83(69,70)82-55)79-44-37(64)36(63)40(23(3)73-44)77-46-39(66)42(34(61)27(20-57)75-46)78-45-38(65)41(71-9)33(60)26(19-56)74-45/h18,22-24,26-29,31-47,56-57,59-66,68H,10-17,19-21H2,1-9H3/t23-,24?,26-,27-,28-,29+,31+,32+,33-,34-,35-,36+,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,50-,51+,52+,53+,54-/m1/s1
C54H85NaO27S1221.29131100
8571986

Charge

26 of 29 defined stereocentres - 26/29 defined
InChI=1/C54H86O27S.Na/c1-22-39(76-45-38(64)41(33(59)26(20-56)74-45)77-44-37(63)40(70-9)32(58)25(19-55)73-44)35(61)36(62)43(72-22)78-42-34(60)27(81-82(67,68)69)21-71-46(42)75-30-13-15-50(6)24-18-29(57)54-47(65)80-52(8,31-12-14-48(2,3)79-31)53(54,66)17-16-51(54,7)23(24)10-11-28(50)49(30,4)5;/h18,22-23,25-46,55-64,66H,10-17,19-21H2,1-9H3,(H,67,68,69);/q;+1/p-1/t22-,23-,25-,26-,27-,28+,29-,30+,31?,32-,33-,34+,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46+,50-,51+,52?,53+,54?;/m1./s1
C54H85NaO27S1221.29131100

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