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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 22 results

Search term: C42H62O17 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
33823532

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C42H62O17/c1-19-36(58-38-35(50)33(48)31(46)26(57-38)18-53-37-34(49)32(47)30(45)25(16-43)56-37)24(51-4)15-29(54-19)55-22-6-9-39(2)21(14-22)5-11-41-27(39)8-10-40(3)23(7-12-42(40,41)59-41)20-13-28(44)52-17-20/h7,13,19,21-22,24-27,29-38,43,45-50H,5-6,8-12,14-18H2,1-4H3/t19-,21-,22+,24-,25-,26-,27-,29+,30-,31-,32+,33+,34-,35-,36+,37-,38+,39+,40-,41+,42-/m1/s1
C42H62O17838.9315111200
175119

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C42H62O17/c1-18-28(45)30(47)32(49)37(54-18)59-36-34(51)39(55-19(2)35(36)58-38-33(50)31(48)29(46)26(16-43)57-38)56-22-9-12-40(3)21(15-22)6-7-25-24(40)10-13-41(4)23(11-14-42(25,41)52)20-5-8-27(44)53-17-20/h5,8,15,17-19,22-26,28-39,43,45-52H,6-7,9-14,16H2,1-4H3/t18-,19-,22-,23+,24-,25+,26+,28-,29+,30+,31-,32+,33+,34+,35-,36-,37-,38-,39-,40-,41+,42-/m0/s1
C42H62O17838.93158800
34984123

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,37+,38-,39-,40+,41+,42+/m0/s1
C42H62O17838.93156700
82826982

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,37+,38-,39-,40-,41+,42+/m0/s1
C42H62O17838.93153300
90615811

18 of 20 defined stereocentres - 18/20 defined
InChI=1/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21?,22-,23-,24-,25-,26-,27+,28-,29-,30+,31?,34-,35+,37+,38-,39-,40+,41+,42+/m0/s1
C42H62O17838.93153300
82965297

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,37+,38-,39-,40+,41+,42+/m1/s1
C42H62O17838.93152200
84393743

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22+,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,37+,38+,39-,40-,41+,42+/m0/s1
C42H62O17838.93152200
58921864

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21-,22+,23+,24+,25+,26+,27-,28+,29+,30-,31-,34+,35-,37-,38+,39+,40-,41-,42-/m1/s1
C42H62O17838.93152200
4476522

10 of 20 defined stereocentres - 10/20 defined
InChI=1/C42H62O17/c1-37(2)20-10-11-42(7)21(39(20,4)15-19(43)31(37)59-35-28(49)24(45)26(47)30(58-35)33(52)53)9-8-17-18-14-40(5,36(54)55)22(16-38(18,3)12-13-41(17,42)6)56-34-27(48)23(44)25(46)29(57-34)32(50)51/h8-9,19-31,34-35,43-49H,10-16H2,1-7H3,(H,50,51)(H,52,53)(H,54,55)/t19?,20?,21?,22?,23-,24-,25+,26+,27-,28-,29+,30+,31?,34-,35+,38?,39?,40?,41?,42?/m1/s1
C42H62O17838.93152200
10142500

16 of 20 defined stereocentres - 16/20 defined
InChI=1/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19?,21?,22-,23+,24-,25-,26+,27+,28-,29-,30+,31?,34-,35+,37+,38-,39-,40+,41?,42+/m0/s1
C42H62O17838.93152200
30843462

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C42H62O17/c1-22-7-9-29-24(3)35(52-37-41(29)27(22)15-17-39(5,54-37)56-58-41)50-33(46)13-11-31(44)48-20-26(19-43)21-49-32(45)12-14-34(47)51-36-25(4)30-10-8-23(2)28-16-18-40(6)55-38(53-36)42(28,30)59-57-40/h22-30,35-38,43H,7-21H2,1-6H3/t22-,23-,24-,25-,26?,27+,28+,29+,30+,35-,36-,37-,38-,39-,40+,41-,42-/m1/s1
C42H62O17838.93152200
31014613

14 of 21 defined stereocentres - 14/21 defined
InChI=1/C42H62O17/c1-19-36(58-38-35(50)33(48)31(46)26(57-38)18-53-37-34(49)32(47)30(45)25(16-43)56-37)24(51-4)15-29(54-19)55-22-6-9-39(2)21(14-22)5-11-41-27(39)8-10-40(3)23(7-12-42(40,41)59-41)20-13-28(44)52-17-20/h7,13,19,21-22,24-27,29-38,43,45-50H,5-6,8-12,14-18H2,1-4H3/t19?,21-,22+,24?,25-,26-,27?,29?,30-,31-,32+,33+,34-,35-,36?,37-,38+,39+,40-,41?,42?/m1/s1
C42H62O17838.93152200
34544061

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,37+,38-,39-,40+,41+,42+/m0/s1
C42H62O17838.93151100
24712844

18 of 21 defined stereocentres - 18/21 defined
InChI=1/C42H62O17/c1-18-16-53-40(4)42(18,51)35-33(59-40)27(36(50)58-35)41-11-5-6-24(41)22-8-7-20-14-21(9-12-39(20,3)23(22)10-13-41)54-38-34(31(48)29(46)26(56-38)17-52-19(2)44)57-37-32(49)30(47)28(45)25(15-43)55-37/h6,18,20-21,25-38,43,45-51H,5,7-17H2,1-4H3/t18-,20?,21-,25+,26+,27?,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42?/m0/s1
C42H62O17838.93151100
58921953

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21-,22+,23-,24+,25+,26+,27+,28+,29-,30-,31+,34-,35-,37-,38+,39-,40-,41-,42+/m1/s1
C42H62O17838.93151200
60600431

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22?,23-,24-,25+,26-,27+,28-,29-,30+,31+,34-,35+,37+,38+,39-,40-,41+,42+/m0/s1
C42H62O17838.93151100
60600987

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C42H62O17/c1-19-36(58-38-35(50)33(48)31(46)26(57-38)18-53-37-34(49)32(47)30(45)25(16-43)56-37)24(51-4)15-29(54-19)55-22-6-9-39(2)21(14-22)5-11-41-27(39)8-10-40(3)23(7-12-42(40,41)59-41)20-13-28(44)52-17-20/h7,13,19,21-22,24-27,29-38,43,45-50H,5-6,8-12,14-18H2,1-4H3/t19-,21-,22+,24-,25-,26-,27-,29+,30-,31-,32+,33+,34-,35-,36-,37-,38+,39+,40-,41+,42-/m1/s1
C42H62O17838.93151100
76818770

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22+,23+,24-,25+,26+,27-,28-,29+,30+,31-,34-,35+,37+,38-,39-,40+,41+,42+/m0/s1
C42H62O17838.93151200
98651723

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21-,22+,23+,24+,25+,26+,27-,28+,29+,30-,31-,34+,35-,37-,38-,39+,40-,41-,42-/m1/s1
C42H62O17838.93151100
98651724

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21-,22+,23+,24-,25+,26+,27-,28+,29+,30-,31-,34+,35-,37-,38+,39+,40-,41-,42-/m1/s1
C42H62O17838.93151100
12

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