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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 45 results

Search term: C48H78O20 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23359979

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3/t19-,20+,21+,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+/m1/s1
C48H78O20975.1209353000
34988923

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C48H78O20/c1-20-28(53)30(55)33(58)40(64-20)67-36-25(17-49)65-39(35(60)32(36)57)63-18-26-29(54)31(56)34(59)41(66-26)68-42(62)48-12-10-43(2,3)14-22(48)21-8-9-27-44(4)15-24(52)38(61)45(5,19-50)37(44)23(51)16-47(27,7)46(21,6)11-13-48/h8,20,22-41,49-61H,9-19H2,1-7H3/t20-,22-,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
C48H78O20975.1209222500
28639016

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3/t19-,20+,21+,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+/m1/s1
C48H78O20975.1209111000
142124

0 of 28 defined stereocentres - 0/28 defined
InChI=1/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3
C48H78O20975.120971100
57620887

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C48H78O20/c1-43(2)11-13-48(14-12-46(5)21(22(48)15-43)7-8-28-44(3)16-23(53)38(61)45(4,20-52)27(44)9-10-47(28,46)6)42(62)68-41-37(34(59)31(56)26(19-51)65-41)67-40-36(33(58)30(55)25(18-50)64-40)66-39-35(60)32(57)29(54)24(17-49)63-39/h7,22-41,49-61H,8-20H2,1-6H3/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
C48H78O20975.12096500
59718435

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C48H78O20/c1-20-28(53)30(55)33(58)40(64-20)67-36-25(17-49)65-39(35(60)32(36)57)63-18-26-29(54)31(56)34(59)41(66-26)68-42(62)48-12-10-43(2,3)14-22(48)21-8-9-27-44(4)15-24(52)38(61)45(5,19-50)37(44)23(51)16-47(27,7)46(21,6)11-13-48/h8,20,22-41,49-61H,9-19H2,1-7H3/t20-,22-,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
C48H78O20975.12096400
81132949

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3/t19-,20+,21+,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+/m1/s1
C48H78O20975.12096500
29814045

24 of 26 defined stereocentres - 24/26 defined
InChI=1/C48H78O20/c1-20-28(53)30(55)33(58)40(64-20)67-36-25(17-49)65-39(35(60)32(36)57)63-18-26-29(54)31(56)34(59)41(66-26)68-42(62)48-12-10-43(2,3)14-22(48)21-8-9-27-44(4)15-24(52)38(61)45(5,19-50)37(44)23(51)16-47(27,7)46(21,6)11-13-48/h8,20,22-41,49-61H,9-19H2,1-7H3/t20-,22-,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
C48H78O20975.12094200
34989668

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3/t19-,20+,21+,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+/m1/s1
C48H78O20975.12093400
10003750

26 of 27 defined stereocentres - 26/27 defined
InChI=1/C48H78O20/c1-20(50)26-13-15-48(57)27-11-10-24-16-25(12-14-46(24,5)33(27)35(52)43(56)47(26,48)6)64-31-17-28(58-7)39(21(2)61-31)66-32-18-29(59-8)40(22(3)62-32)67-45-38(55)42(60-9)41(23(4)63-45)68-44-37(54)36(53)34(51)30(19-49)65-44/h10,21-23,25-45,49,51-57H,11-19H2,1-9H3/t21-,22-,23-,25+,26-,27-,28+,29+,30-,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,43?,44+,45+,46+,47+,48+/m1/s1
C48H78O20975.12093200
23338939

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C48H78O20/c1-43(2)11-13-48(42(62)68-40-35(60)33(58)30(55)25(18-50)64-40)14-12-46(5)21(22(48)15-43)7-8-28-44(3)16-23(53)38(45(4,20-52)27(44)9-10-47(28,46)6)67-41-36(61)37(31(56)26(19-51)65-41)66-39-34(59)32(57)29(54)24(17-49)63-39/h7,22-41,49-61H,8-20H2,1-6H3/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
C48H78O20975.12092200
24686840

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3/t19-,20+,21+,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+/m1/s1
C48H78O20975.12092200
25055804

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C48H78O20/c1-20(2)48(62)17-16-47(15-14-44(5)22(37(47)48)8-9-25-43(4)12-11-27(50)46(7,41(59)60)26(43)10-13-45(25,44)6)42(61)68-40-34(57)31(54)29(52)24(66-40)19-63-38-35(58)32(55)36(23(18-49)65-38)67-39-33(56)30(53)28(51)21(3)64-39/h20-40,49-58,62H,8-19H2,1-7H3,(H,59,60)/t21-,22+,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
C48H78O20975.12092200
8899958

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C48H78O20/c1-20(18-62-43-40(58)38(56)35(53)30(17-49)64-43)10-13-48(60-7)21(2)33-29(68-48)16-28-26-9-8-24-14-25(51)15-32(47(24,6)27(26)11-12-46(28,33)5)66-45-42(39(57)36(54)31(65-45)19-61-23(4)50)67-44-41(59)37(55)34(52)22(3)63-44/h8,20-22,25-45,49,51-59H,9-19H2,1-7H3/t20-,21+,22+,25-,26-,27+,28+,29+,30-,31-,32-,33+,34+,35-,36+,37-,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-/m1/s1
C48H78O20975.12092100
9018889

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C48H78O20/c1-20-27(52)29(54)33(58)40(63-20)67-35-30(55)28(53)23(17-49)64-41(35)68-36-32(57)31(56)34(39(61)62)66-42(36)65-26-11-12-45(4)24(46(26,5)19-51)10-13-48(7)25(45)9-8-21-22-16-43(2,18-50)37(59)38(60)44(22,3)14-15-47(21,48)6/h8,20,22-38,40-42,49-60H,9-19H2,1-7H3,(H,61,62)/t20-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31-,32-,33+,34-,35+,36+,37-,38+,40-,41-,42+,43-,44+,45-,46+,47+,48+/m0/s1
C48H78O20975.12092100
9106316

23 of 25 defined stereocentres - 23/25 defined
InChI=1/C48H78O20/c1-43(2)11-13-48(42(62)68-41-37(61)34(58)31(55)26(66-41)19-63-39-35(59)32(56)29(53)24(17-49)64-39)14-12-46(5)21(22(48)15-43)7-8-28-44(3)16-23(52)38(45(4,20-51)27(44)9-10-47(28,46)6)67-40-36(60)33(57)30(54)25(18-50)65-40/h7,22-41,49-61H,8-20H2,1-6H3/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
C48H78O20975.12092100
9106317

26 of 27 defined stereocentres - 26/27 defined
InChI=1/C48H78O20/c1-20(22-13-28(53)46(6,68-22)19-62-40-37(60)34(57)31(54)23(15-49)63-40)30-21(52)14-45(5)27-8-7-26-43(2,3)29(9-10-47(26)18-48(27,47)12-11-44(30,45)4)66-42-39(36(59)33(56)25(17-51)65-42)67-41-38(61)35(58)32(55)24(16-50)64-41/h20,22-42,49-51,53-61H,7-19H2,1-6H3/t20-,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+/m1/s1
C48H78O20975.12092100
9248250

25 of 27 defined stereocentres - 25/27 defined
InChI=1/C48H78O20/c1-20-9-12-48(43(62)68-42-38(61)35(58)32(55)26(66-42)18-63-40-36(59)33(56)30(53)24(16-49)64-40)14-13-46(5)22(29(48)21(20)2)7-8-28-44(3)15-23(52)39(45(4,19-51)27(44)10-11-47(28,46)6)67-41-37(60)34(57)31(54)25(17-50)65-41/h7,20-21,23-42,49-61H,8-19H2,1-6H3/t20-,21+,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+/m1/s1
C48H78O20975.1209199999982100
9311941

24 of 26 defined stereocentres - 24/26 defined
InChI=1/C48H78O20/c1-20-10-13-48(42(61)68-41-36(33(58)30(55)25(19-51)65-41)66-39-34(59)31(56)28(53)23(17-49)63-39)15-14-45(5)21(37(48)47(20,7)62)8-9-27-44(4)16-22(52)38(43(2,3)26(44)11-12-46(27,45)6)67-40-35(60)32(57)29(54)24(18-50)64-40/h8,20,22-41,49-60,62H,9-19H2,1-7H3/t20-,22-,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
C48H78O20975.12092100
9825701

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C48H78O20/c1-43(2)11-13-48(42(61)62)14-12-46(5)21(22(48)15-43)7-8-28-44(3)16-23(53)38(45(4,20-52)27(44)9-10-47(28,46)6)68-41-35(60)37(31(56)26(19-51)65-41)67-40-34(59)36(30(55)25(18-50)64-40)66-39-33(58)32(57)29(54)24(17-49)63-39/h7,22-41,49-60H,8-20H2,1-6H3,(H,61,62)/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
C48H78O20975.12092100
123

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