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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 59 results

Search term: C48H78O17 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
146896

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C48H78O17/c1-22-30(51)32(53)36(57)40(61-22)65-38-24(20-59-39-35(56)33(54)31(52)23(19-49)62-39)63-41(37(58)34(38)55)64-29-11-12-44(6)25(43(29,4)5)9-13-45(7)26(44)10-14-48-27-17-42(2,3)15-16-47(27,21-60-48)28(50)18-46(45,48)8/h10,14,22-41,49-58H,9,11-13,15-21H2,1-8H3/t22-,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45+,46-,47+,48-/m0/s1
C48H78O17927.1227303100
10270571

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,25-42,49-59H,11-21H2,1-8H3/t22-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,45-,46+,47+,48+/m0/s1
C48H78O17927.1227171630
147975

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H78O17/c1-22-30(51)32(53)35(56)40(61-22)64-38-25(20-49)62-39(37(58)34(38)55)60-21-26-31(52)33(54)36(57)41(63-26)65-42(59)48-17-15-43(2,3)19-24(48)23-9-10-28-45(6)13-12-29(50)44(4,5)27(45)11-14-47(28,8)46(23,7)16-18-48/h9,22,24-41,49-58H,10-21H2,1-8H3/t22-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,45-,46+,47+,48-/m0/s1
C48H78O17927.122710700
10270575

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,24-27,29-42,49-59H,11-21H2,1-8H3/t22-,24-,25+,26+,27-,29-,30-,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,45-,46+,47+,48+/m0/s1
C48H78O17927.12278810
390518

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,25-42,49-59H,11-21H2,1-8H3/t22-,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,45-,46+,47+,48+/m0/s1
C48H78O17927.12278700
8852624

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H78O17/c1-23-31(52)37(64-39-35(56)34(55)33(54)27(20-49)62-39)36(57)40(61-23)65-38-32(53)26(51)21-60-41(38)63-30-12-13-44(4)28(45(30,5)22-50)11-14-47(7)29(44)10-9-24-25-19-43(2,3)15-17-48(25,42(58)59-8)18-16-46(24,47)6/h9,23,25-41,49-57H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29+,30-,31-,32-,33+,34-,35+,36+,37+,38+,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1
C48H78O17927.12275400
2300926

20 of 25 defined stereocentres - 20/25 defined
InChI=1/C48H78O17/c1-22-30(52)33(55)36(58)39(61-22)63-38-35(57)32(54)24(20-50)64-48(38,65-40-37(59)34(56)31(53)23(19-49)62-40)26-9-12-43(6)25(42(26,4)5)10-13-44(7)27(43)11-14-47-28-17-41(2,3)15-16-46(28,21-60-47)29(51)18-45(44,47)8/h11,14,22-40,49-59H,9-10,12-13,15-21H2,1-8H3/t22-,23+,24+,25?,26?,27?,28-,29+,30-,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,43-,44+,45-,46?,47?,48+/m0/s1
C48H78O17927.1227199999983400
44750665

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C48H78O17/c1-22-30(51)32(53)36(57)40(61-22)65-38-24(20-59-39-35(56)33(54)31(52)23(19-49)62-39)63-41(37(58)34(38)55)64-29-11-12-44(6)25(43(29,4)5)9-13-45(7)26(44)10-14-48-27-17-42(2,3)15-16-47(27,21-60-48)28(50)18-46(45,48)8/h10,14,22-41,49-58H,9,11-13,15-21H2,1-8H3/t22-,23+,24+,25-,26+,27-,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45+,46-,47+,48-/m0/s1
C48H78O17927.12273200
82965838

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,25-42,49-59H,11-21H2,1-8H3/t22-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,45-,46+,47+,48+/m1/s1
C48H78O17927.12273200
165821

23 of 25 defined stereocentres - 23/25 defined
InChI=1/C48H78O17/c1-22-30(52)37(64-39-35(57)33(55)31(53)23(19-49)61-39)38(65-40-36(58)34(56)32(54)24(20-50)62-40)41(60-22)63-29-11-12-44(6)25(43(29,4)5)9-13-45(7)26(44)10-14-48-27-17-42(2,3)15-16-47(27,21-59-48)28(51)18-46(45,48)8/h10,14,22-41,49-58H,9,11-13,15-21H2,1-8H3/t22-,23-,24-,25+,26-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38-,39+,40+,41+,44+,45-,46+,47?,48?/m1/s1
C48H78O17927.12273200
163733

0 of 24 defined stereocentres - 0/24 defined
InChI=1/C48H78O17/c1-21-29(51)31(53)35(57)40(60-21)64-37-32(54)30(52)24(20-49)61-41(37)65-38-34(56)33(55)36(39(58)59)63-42(38)62-28-13-14-46(7)25(44(28,4)5)12-15-48(9)26(46)11-10-22-23-18-43(2,3)19-27(50)45(23,6)16-17-47(22,48)8/h10,21,23-38,40-42,49-57H,11-20H2,1-9H3,(H,58,59)
C48H78O17927.12272100
8277845

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C48H78O17/c1-23(49)30-13-16-48(54)46(30,7)36(51)22-35-45(6)14-12-29(17-28(45)11-15-47(35,48)53)62-37-18-31(50)42(25(3)59-37)63-39-20-33(56-9)44(26(4)60-39)65-40-21-34(57-10)43(27(5)61-40)64-38-19-32(55-8)41(52)24(2)58-38/h11,24-27,29-44,50-54H,12-22H2,1-10H3/t24-,25-,26-,27-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48-/m1/s1
C48H78O17927.12272100
8593780

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C48H78O17/c1-23(49)30-13-16-48(54)46(30,7)36(51)22-35-45(6)14-12-29(17-28(45)11-15-47(35,48)53)62-37-18-31(50)42(25(3)59-37)63-39-20-33(56-9)44(26(4)60-39)65-40-21-34(57-10)43(27(5)61-40)64-38-19-32(55-8)41(52)24(2)58-38/h11,24-27,29-44,50-54H,12-22H2,1-10H3/t24-,25-,26-,27-,29+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48-/m1/s1
C48H78O17927.12272100
8638940

21 of 23 defined stereocentres - 21/23 defined
InChI=1/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,25-42,49-59H,11-21H2,1-8H3/t22-,25+,26+,27?,28?,29-,30-,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,45-,46+,47+,48+/m0/s1
C48H78O17927.12272100
8899834

20 of 23 defined stereocentres - 20/23 defined
InChI=1/C48H78O17/c1-22-30(51)32(53)35(56)40(61-22)64-38-25(19-49)62-39(37(58)34(38)55)60-20-26-31(52)33(54)36(57)41(63-26)65-42(59)48-16-11-23-24(47(48,8)21-43(2,3)17-18-48)9-10-28-45(23,6)14-12-27-44(4,5)29(50)13-15-46(27,28)7/h11,22,24-41,49-58H,9-10,12-21H2,1-8H3/t22-,24?,25+,26+,27?,28?,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,45-,46-,47-,48-/m0/s1
C48H78O17927.12272100
8923691

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C48H78O17/c1-22-30(52)32(54)34(56)39(60-22)64-37-24(19-49)62-40(35(57)33(37)55)65-38-31(53)23(2)61-41(36(38)58)63-29-11-12-43(5)25(44(29,6)20-50)9-13-45(7)26(43)10-14-48-27-17-42(3,4)15-16-47(27,21-59-48)28(51)18-46(45,48)8/h10,14,22-41,49-58H,9,11-13,15-21H2,1-8H3/t22-,23+,24+,25?,26+,27+,28-,29-,30-,31-,32+,33+,34+,35+,36+,37+,38-,39-,40-,41-,43-,44-,45+,46-,47+,48-/m0/s1
C48H78O17927.12272100
9269346

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C48H78O17/c1-20-21(2)39-47(16-24(20)50)19-59-48(39)15-11-27-44(7)13-12-29(43(5,6)26(44)10-14-45(27,8)46(48,9)17-28(47)51)63-41-37(34(56)31(53)23(4)61-41)65-42-38(35(57)32(54)25(18-49)62-42)64-40-36(58)33(55)30(52)22(3)60-40/h11,15,20-42,49-58H,10,12-14,16-19H2,1-9H3/t20-,21-,22-,23+,24-,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,44-,45+,46-,47-,48-/m0/s1
C48H78O17927.12272100
10142300

15 of 23 defined stereocentres - 15/23 defined
InChI=1/C48H78O17/c1-22-30(51)32(53)35(56)40(61-22)64-38-25(20-49)62-39(37(58)34(38)55)60-21-26-31(52)33(54)36(57)41(63-26)65-42(59)48-17-15-43(2,3)19-24(48)23-9-10-28-45(6)13-12-29(50)44(4,5)27(45)11-14-47(28,8)46(23,7)16-18-48/h9,22,24-41,49-58H,10-21H2,1-8H3/t22-,24?,25-,26-,27?,28?,29?,30-,31-,32-,33+,34-,35-,36-,37-,38-,39-,40+,41+,45?,46?,47?,48?/m1/s1
C48H78O17927.12272200
10142472

20 of 24 defined stereocentres - 20/24 defined
InChI=1/C48H78O17/c1-21-29(51)31(53)35(57)40(60-21)64-37-32(54)30(52)24(20-49)61-41(37)65-38-34(56)33(55)36(39(58)59)63-42(38)62-28-13-14-46(7)25(44(28,4)5)12-15-48(9)26(46)11-10-22-23-18-43(2,3)19-27(50)45(23,6)16-17-47(22,48)8/h10,21,23-38,40-42,49-57H,11-20H2,1-9H3,(H,58,59)/t21-,23?,24-,25?,26?,27-,28+,29-,30+,31-,32-,33+,34-,35-,36+,37-,38-,40+,41+,42-,45-,46+,47?,48-/m1/s1
C48H78O17927.12272200
10258843

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C48H78O17/c1-21-29(51)31(53)35(57)40(60-21)64-37-32(54)30(52)24(20-49)61-41(37)65-38-34(56)33(55)36(39(58)59)63-42(38)62-28-13-14-46(7)25(44(28,4)5)12-15-48(9)26(46)11-10-22-23-18-43(2,3)19-27(50)45(23,6)16-17-47(22,48)8/h10,21,23-38,40-42,49-57H,11-20H2,1-9H3,(H,58,59)/t21-,23-,24+,25-,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,45+,46-,47+,48+/m0/s1
C48H78O17927.12272200
123

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