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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 39 results

Search term: C44H70O17 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9182610

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O17/c1-18-8-11-44(55-16-18)19(2)30-27(61-44)14-25-23-7-6-21-12-22(46)13-29(43(21,5)24(23)9-10-42(25,30)4)58-41-38(60-40-36(53)34(51)33(50)28(15-45)57-40)37(31(48)20(3)56-41)59-39-35(52)32(49)26(47)17-54-39/h6,18-20,22-41,45-53H,7-17H2,1-5H3/t18-,19+,20-,22-,23-,24+,25+,26-,27+,28-,29-,30+,31+,32+,33-,34+,35-,36-,37+,38-,39+,40+,41+,42+,43+,44-/m1/s1
C44H70O17871.0164231600
57620922

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C44H70O17/c1-19-8-13-44(55-17-19)20(2)29-27(61-44)15-43(53)25-7-6-22-14-23(9-11-41(22,4)24(25)10-12-42(29,43)5)57-40-37(60-39-34(51)32(49)30(47)21(3)56-39)35(52)36(28(16-45)58-40)59-38-33(50)31(48)26(46)18-54-38/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20+,21+,23+,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38+,39+,40-,41+,42-,43-,44-/m1/s1
C44H70O17871.0164161700
58825480

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C44H70O17/c1-19-8-13-43(54-18-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)56-40-37(60-38-34(51)32(49)30(47)20(2)55-38)35(52)36(28(17-46)58-40)59-39-33(50)31(48)27(16-45)57-39/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38+,39+,40-,41+,42+,43-,44-/m1/s1
C44H70O17871.0164131100
57620828

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C44H70O17/c1-19-8-13-43(55-17-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)57-40-37(60-39-34(51)32(49)30(47)20(2)56-39)35(52)36(28(16-45)58-40)59-38-33(50)31(48)27(46)18-54-38/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38+,39+,40-,41+,42+,43-,44-/m1/s1
C44H70O17871.0164131200
30783359

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C44H70O17/c1-19-8-13-43(54-18-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)56-40-35(52)37(60-38-34(51)32(49)30(47)20(2)55-38)36(28(17-46)58-40)59-39-33(50)31(48)27(16-45)57-39/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36-,37-,38+,39+,40-,41+,42+,43-,44-/m1/s1
C44H70O17871.016412900
22912817

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C44H70O17/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-19-26(5)20-21-53-43-39(36(51)34(49)32(60-43)22-54-42-37(52)35(50)33(48)27(6)55-42)61-44-41(59-31(10)47)40(58-30(9)46)38(28(7)56-44)57-29(8)45/h14,16,18,20,27-28,32-44,48-52H,11-13,15,17,19,21-22H2,1-10H3/b24-16+,25-18+,26-20+/t27-,28-,32+,33-,34+,35+,36-,37+,38-,39+,40+,41+,42+,43+,44-/m0/s1
C44H70O17871.01647500
8994747

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C44H70O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-36(53)34(51)32(49)28(15-45)57-40)37(33(50)29(16-46)58-41)59-39-35(52)31(48)26(47)18-54-39/h20-41,45-53H,1,5-18H2,2-4H3/t20-,21+,22-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36+,37-,38+,39-,40-,41+,42-,43-,44+/m0/s1
C44H70O17871.01645400
8876176

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C44H70O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-36(53)34(51)32(49)28(15-45)57-40)37(33(50)29(16-46)58-41)59-39-35(52)31(48)26(47)18-54-39/h20-41,45-53H,1,5-18H2,2-4H3/t20-,21+,22-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,42-,43-,44+/m0/s1
C44H70O17871.01645400
58802354

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C44H70O17/c1-19-8-13-43(55-17-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)57-40-37(60-39-34(51)32(49)30(47)20(2)56-39)35(52)36(28(16-45)58-40)59-38-33(50)31(48)27(46)18-54-38/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38+,39+,40-,41+,42+,43-,44-/m1/s1
C44H70O17871.01645500
114928678

23 of 25 defined stereocentres - 23/25 defined
InChI=1/C44H70O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-36(53)34(51)32(49)28(15-45)57-40)37(33(50)29(16-46)58-41)59-39-35(52)31(48)26(47)18-54-39/h20-41,45-53H,1,5-18H2,2-4H3/t20-,21+,22-,23+,24?,25?,26+,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,42-,43-,44+/m0/s1
C44H70O17871.01645500
82964567

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C44H70O17/c1-19-8-13-43(55-17-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)57-40-37(60-39-34(51)32(49)30(47)20(2)56-39)35(52)36(28(16-45)58-40)59-38-33(50)31(48)27(46)18-54-38/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38+,39+,40-,41+,42+,43-,44-/m0/s1
C44H70O17871.01644300
44750660

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C44H70O17/c1-19-8-13-43(55-17-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)57-40-37(60-39-34(51)32(49)30(47)20(2)56-39)35(52)36(28(16-45)58-40)59-38-33(50)31(48)27(46)18-54-38/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38+,39+,40-,41+,42+,43+,44-/m1/s1
C44H70O17871.01644300
82966164

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C44H70O17/c1-19-8-13-43(54-18-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)56-40-37(60-38-34(51)32(49)30(47)20(2)55-38)35(52)36(28(17-46)58-40)59-39-33(50)31(48)27(16-45)57-39/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35+,36-,37-,38+,39+,40-,41+,42+,43-,44-/m0/s1
C44H70O17871.01643200
82964530

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O17/c1-18-8-11-44(55-16-18)19(2)30-27(61-44)14-25-23-7-6-21-12-22(46)13-29(43(21,5)24(23)9-10-42(25,30)4)58-41-38(60-40-36(53)34(51)33(50)28(15-45)57-40)37(31(48)20(3)56-41)59-39-35(52)32(49)26(47)17-54-39/h6,18-20,22-41,45-53H,7-17H2,1-5H3/t18-,19+,20-,22-,23-,24+,25+,26-,27+,28-,29-,30+,31+,32+,33-,34+,35-,36-,37+,38-,39+,40+,41+,42+,43+,44-/m0/s1
C44H70O17871.01643200
30845032

23 of 25 defined stereocentres - 23/25 defined
InChI=1/C44H70O17/c1-19-8-13-43(54-18-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)56-40-37(60-38-34(51)32(49)30(47)20(2)55-38)35(52)36(28(17-46)58-40)59-39-33(50)31(48)27(16-45)57-39/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19?,20-,21+,23-,24+,25-,26-,27-,28+,29?,30-,31-,32+,33+,34+,35-,36+,37+,38-,39-,40+,41-,42-,43+,44+/m0/s1
C44H70O17871.01642200
73983349

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C44H70O17/c1-19-8-13-43(54-18-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)56-40-37(60-38-34(51)32(49)30(47)20(2)55-38)35(52)36(28(17-46)58-40)59-39-33(50)31(48)27(16-45)57-39/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38+,39+,40-,41+,42+,43+,44-/m1/s1
C44H70O17871.01642200
8923522

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O17/c1-18-8-13-44(61-38(18)53)19(2)29-27(60-44)15-25-23-7-6-21-14-22(9-11-42(21,4)24(23)10-12-43(25,29)5)56-41-37(59-40-35(52)33(50)30(47)20(3)55-40)36(32(49)28(16-45)57-41)58-39-34(51)31(48)26(46)17-54-39/h6,18-20,22-41,45-53H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+/m1/s1
C44H70O17871.01642100
8526126

21 of 25 defined stereocentres - 21/25 defined
InChI=1/C44H70O17/c1-19-8-13-43(54-18-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)56-40-37(60-38-34(51)32(49)30(47)20(2)55-38)35(52)36(28(17-46)58-40)59-39-33(50)31(48)27(16-45)57-39/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20+,21-,23+,24?,25?,26?,27+,28-,29?,30+,31+,32-,33-,34-,35+,36-,37-,38+,39+,40-,41+,42+,43-,44-/m1/s1
C44H70O17871.01642100
8804828

18 of 21 defined stereocentres - 18/21 defined
InChI=1/C44H70O17/c1-21(48)57-20-39(2)11-13-44(38(56)61-37-34(55)32(53)30(51)26(18-46)59-37)14-12-42(5)22(23(44)15-39)7-8-28-40(3)16-24(49)35(41(4,19-47)27(40)9-10-43(28,42)6)60-36-33(54)31(52)29(50)25(17-45)58-36/h7,23-37,45-47,49-55H,8-20H2,1-6H3/t23?,24-,25+,26+,27?,28?,29+,30+,31-,32-,33+,34+,35-,36-,37-,39-,40-,41-,42+,43+,44-/m0/s1
C44H70O17871.01642100
10142210

16 of 27 defined stereocentres - 16/27 defined
InChI=1/C44H70O17/c1-17-14-57-44(38(54)30(17)48)13-20-10-25-23-7-6-21-11-22(45)12-28(43(21,5)24(23)8-9-42(25,4)29(20)18(44)2)59-41-37(61-40-35(53)33(51)31(49)19(3)58-40)36(27(47)16-56-41)60-39-34(52)32(50)26(46)15-55-39/h6,17-20,22-41,45-54H,7-16H2,1-5H3/t17-,18?,19+,20?,22?,23?,24?,25?,26+,27+,28?,29?,30+,31+,32+,33+,34+,35+,36+,37+,38-,39-,40-,41-,42?,43?,44?/m0/s1
C44H70O17871.01642200
12

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