Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 63 results

Search term: C54H88O23 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30773358

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3/t24-,25+,26+,27+,28+,29-,30+,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46-,47-,51-,52+,53+,54-/m0/s1
C54H88O231105.2627241900
30791204

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C54H88O23/c1-22-30(58)33(61)36(64)44(70-22)76-41-35(63)32(60)24(20-56)72-46(41)74-39-38(66)40(43(67)68)75-47(42(39)77-45-37(65)34(62)31(59)23(19-55)71-45)73-29-11-12-50(6)25(49(29,4)5)9-13-51(7)26(50)10-14-54-27-17-48(2,3)15-16-53(27,21-69-54)28(57)18-52(51,54)8/h22-42,44-47,55-66H,9-21H2,1-8H3,(H,67,68)/t22-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32-,33+,34-,35-,36+,37+,38-,39-,40-,41+,42+,44-,45-,46-,47+,50-,51+,52-,53+,54-/m0/s1
C54H88O231105.2627121000
28536748

25 of 28 defined stereocentres - 25/28 defined
InChI=1/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3/t24-,25+,26+,27+,28+,29-,30+,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46-,47-,51-,52?,53?,54?/m0/s1
C54H88O231105.262710400
2340616

27 of 28 defined stereocentres - 27/28 defined
InChI=1/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3/t24-,25-,26-,27-,28-,29?,30-,31+,32-,33-,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44+,45+,46+,47+,51+,52-,53-,54+/m1/s1
C54H88O231105.262729900
34998852

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C54H88O23/c1-22-31(58)34(61)38(65)46(71-22)76-42-40(67)41(75-47-39(66)36(63)33(60)26(73-47)20-70-45-37(64)35(62)32(59)25(19-55)72-45)43(44(68)69)77-48(42)74-30-12-13-51(6)27(50(30,4)5)11-14-52(7)28(51)10-9-23-24-17-49(2,3)15-16-54(24,21-56)29(57)18-53(23,52)8/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22-,24-,25+,26+,27-,28+,29+,30-,31-,32+,33-,34+,35-,36-,37+,38+,39+,40-,41+,42+,43-,45+,46-,47-,48+,51-,52+,53+,54+/m0/s1
C54H88O231105.26277900
165725

29 of 31 defined stereocentres - 29/31 defined
InChI=1/C54H88O23/c1-23-32(60)42(76-46-40(68)37(65)41(26(20-57)73-46)75-44-38(66)35(63)33(61)24(18-55)71-44)43(77-45-39(67)36(64)34(62)25(19-56)72-45)47(70-23)74-31-10-11-49(4)27(50(31,5)21-58)8-12-51(6)28(49)9-13-54-29-16-48(2,3)14-15-53(29,22-69-54)30(59)17-52(51,54)7/h9,13,23-47,55-68H,8,10-12,14-22H2,1-7H3/t23-,24-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,43-,44+,45+,46+,47+,49+,50+,51-,52+,53?,54?/m1/s1
C54H88O231105.26276500
386662

0 of 29 defined stereocentres - 0/29 defined
InChI=1/C54H88O23/c1-22-31(58)34(61)38(65)46(71-22)76-42-40(67)41(75-47-39(66)36(63)33(60)26(73-47)20-70-45-37(64)35(62)32(59)25(19-55)72-45)43(44(68)69)77-48(42)74-30-12-13-51(6)27(50(30,4)5)11-14-52(7)28(51)10-9-23-24-17-49(2,3)15-16-54(24,21-56)29(57)18-53(23,52)8/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)
C54H88O231105.26274300
66191

28 of 29 defined stereocentres - 28/29 defined
InChI=1/C54H88O23/c1-22-31(58)34(61)38(65)46(71-22)76-42-40(67)41(75-47-39(66)36(63)33(60)26(73-47)20-70-45-37(64)35(62)32(59)25(19-55)72-45)43(44(68)69)77-48(42)74-30-12-13-51(6)27(50(30,4)5)11-14-52(7)28(51)10-9-23-24-17-49(2,3)15-16-54(24,21-56)29(57)18-53(23,52)8/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22-,24-,25+,26+,27-,28+,29?,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41+,42+,43-,45+,46-,47-,48+,51-,52+,53+,54+/m0/s1
C54H88O231105.26274400
2340032

28 of 31 defined stereocentres - 28/31 defined
InChI=1/C54H88O23/c1-23-32(60)35(63)38(66)44(70-23)75-41-26(20-57)73-47(43(77-46-40(68)37(65)34(62)25(19-56)72-46)42(41)76-45-39(67)36(64)33(61)24(18-55)71-45)74-31-10-11-50(5)27(48(31,2)3)8-12-51(6)28(50)9-13-54-29-16-49(4,21-58)14-15-53(29,22-69-54)30(59)17-52(51,54)7/h21,23-47,55-57,59-68H,8-20,22H2,1-7H3/t23-,24+,25+,26+,27?,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42-,43+,44-,45+,46-,47+,49+,50-,51+,52-,53?,54?/m0/s1
C54H88O231105.262723300
22913230

29 of 31 defined stereocentres - 29/31 defined
InChI=1/C54H88O23/c1-23-32(60)42(76-46-40(68)37(65)41(26(20-57)73-46)75-44-38(66)35(63)33(61)24(18-55)71-44)43(77-45-39(67)36(64)34(62)25(19-56)72-45)47(70-23)74-31-10-11-49(4)27(50(31,5)21-58)8-12-51(6)28(49)9-13-54-29-16-48(2,3)14-15-53(29,22-69-54)30(59)17-52(51,54)7/h9,13,23-47,55-68H,8,10-12,14-22H2,1-7H3/t23-,24-,25-,26-,27?,28?,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,43-,44+,45+,46+,47+,49+,50+,51-,52+,53-,54+/m1/s1
C54H88O231105.26273200
22913364

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3/t24-,25+,26+,27+,28+,29?,30?,31-,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46-,47-,51-,52+,53+,54-/m0/s1
C54H88O231105.26273100
107446253

31 of 31 defined stereocentres - 31/31 defined
InChI=1/C54H88O23/c1-22(2)24-10-15-54(49(69)77-48-42(67)38(63)35(60)28(74-48)20-70-45-43(68)39(64)44(27(19-56)73-45)76-46-40(65)36(61)33(58)23(3)71-46)17-16-52(6)25(32(24)54)8-9-30-50(4)13-12-31(51(5,21-57)29(50)11-14-53(30,52)7)75-47-41(66)37(62)34(59)26(18-55)72-47/h23-48,55-68H,1,8-21H2,2-7H3/t23-,24-,25+,26+,27+,28+,29+,30+,31-,32+,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,50-,51-,52+,53+,54-/m0/s1
C54H88O231105.26273300
4159795

0 of 28 defined stereocentres - 0/28 defined
InChI=1/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3
C54H88O231105.262723200
8209724

30 of 31 defined stereocentres - 30/31 defined
InChI=1/C54H88O23/c1-21-29(57)32(60)37(65)45(70-21)75-40-34(62)31(59)25(19-55)72-47(40)76-41-36(64)35(63)39(44(68)69)74-48(41)73-28-13-14-51(6)26(52(28,7)20-56)12-15-54(9)27(51)11-10-23-24-18-49(3,4)43(42(67)50(24,5)16-17-53(23,54)8)77-46-38(66)33(61)30(58)22(2)71-46/h10,21-22,24-43,45-48,55-67H,11-20H2,1-9H3,(H,68,69)/t21-,22-,24-,25+,26+,27?,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40+,41+,42+,43-,45-,46-,47-,48+,50+,51-,52+,53+,54+/m0/s1
C54H88O231105.26272100
8526671

26 of 29 defined stereocentres - 26/29 defined
InChI=1/C54H88O23/c1-22-31(58)34(61)38(65)46(71-22)76-42-40(67)41(75-47-39(66)36(63)33(60)26(73-47)20-70-45-37(64)35(62)32(59)25(19-55)72-45)43(44(68)69)77-48(42)74-30-12-13-51(6)27(50(30,4)5)11-14-52(7)28(51)10-9-23-24-17-49(2,3)15-16-54(24,21-56)29(57)18-53(23,52)8/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22-,24?,25+,26+,27?,28?,29+,30-,31-,32+,33-,34+,35-,36-,37+,38+,39+,40-,41+,42+,43-,45+,46+,47-,48+,51-,52+,53+,54+/m0/s1
C54H88O231105.26272100
8571840

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C54H88O23/c1-22-31(58)34(61)40(67)46(71-22)76-42-36(63)33(60)26(20-56)73-47(42)77-43-38(65)37(64)41(44(68)69)75-48(43)74-30-12-13-52(6)27(49(30,2)3)11-14-54(8)28(52)10-9-23-24-17-50(4,18-29(57)51(24,5)15-16-53(23,54)7)21-70-45-39(66)35(62)32(59)25(19-55)72-45/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22-,24-,25+,26+,27?,28+,29+,30-,31-,32+,33-,34+,35-,36-,37-,38-,39+,40+,41-,42+,43+,45+,46-,47-,48+,50+,51+,52-,53+,54+/m0/s1
C54H88O231105.26272100
8685790

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C54H88O23/c1-22-31(59)34(62)38(66)45(70-22)77-43-40(74-46-39(67)35(63)32(60)25(19-55)71-46)33(61)26(20-56)72-48(43)76-42-37(65)36(64)41(44(68)69)75-47(42)73-30-12-13-52(6)27(49(30,2)3)11-14-54(8)28(52)10-9-23-24-17-50(4,21-57)18-29(58)51(24,5)15-16-53(23,54)7/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22-,24-,25+,26+,27-,28+,29+,30-,31-,32+,33-,34+,35-,36-,37-,38+,39+,40-,41-,42+,43+,45-,46-,47+,48-,50+,51+,52-,53+,54+/m0/s1
C54H88O231105.26272100
8995329

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C54H88O23/c1-22-31(59)34(62)38(66)45(70-22)77-43-40(74-46-39(67)35(63)32(60)25(19-55)71-46)33(61)26(20-56)72-48(43)76-42-37(65)36(64)41(44(68)69)75-47(42)73-30-12-13-51(5)27(52(30,6)21-57)11-14-54(8)28(51)10-9-23-24-17-49(2,3)18-29(58)50(24,4)15-16-53(23,54)7/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22-,24-,25+,26+,27+,28+,29+,30-,31-,32+,33-,34+,35-,36-,37-,38+,39+,40-,41-,42+,43+,45-,46-,47+,48-,50+,51-,52+,53+,54+/m0/s1
C54H88O231105.26272100
10142549

21 of 28 defined stereocentres - 21/28 defined
InChI=1/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3/t24?,25-,26-,27-,28-,29?,30?,31?,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,51?,52-,53?,54?/m1/s1
C54H88O231105.26272200
1234

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