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 13 results

Search term: C44H66O17 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23327165

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3/b12-11+,27-16+,28-18+/t25-,29-,30+,31-,32-,33+,34-,35+,40+,43+,44-/m1/s1
C44H66O17866.98462200
29214082

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3/b12-11+,27-16+,28-18+/t25-,29-,30+,31+,32-,33+,34-,35+,40+,43+,44-/m1/s1
C44H66O17866.98462400
140908

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3
C44H66O17866.98462100
4531948

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3/b12-11-,27-16-,28-18+/t25-,29-,30+,31+,32-,33+,34-,35+,40+,43+,44-/m1/s1
C44H66O17866.98462200
4945160

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3/b12-11-,27-16+,28-18-
C44H66O17866.98462200
5008235

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3/b12-11-,27-16+,28-18+/t25-,29-,30+,31+,32-,33+,34-,35+,40+,43+,44-/m1/s1
C44H66O17866.98462100
10214339

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C44H66O17/c1-18-13-32(60-39(53)19(18)2)44(8,54)29-12-11-26-25-10-9-23-14-24(15-30(56-21(4)46)42(23,6)27(25)16-31(43(26,29)7)57-22(5)47)58-41-37(52)35(50)38(28(17-45)59-41)61-40-36(51)34(49)33(48)20(3)55-40/h9,20,24-38,40-41,45,48-52,54H,10-17H2,1-8H3/t20-,24+,25-,26-,27-,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,40-,41+,42-,43-,44+/m0/s1
C44H66O17866.98461100
32774916

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3/b12-11+,27-16-,28-18+/t25-,29-,30+,31+,32-,33+,34-,35+,40+,43+,44-/m1/s1
C44H66O17866.98461100
58921775

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C44H66O17/c1-19(46)57-26-17-40(4,38(55)56)16-21-20-15-22(47)34-42(6)11-10-25(39(2,3)24(42)9-12-44(34,8)43(20,7)14-13-41(21,26)5)59-37-33(30(51)29(50)32(60-37)35(53)54)61-36-31(52)28(49)27(48)23(18-45)58-36/h15,21,23-34,36-37,45,48-52H,9-14,16-18H2,1-8H3,(H,53,54)(H,55,56)/t21-,23-,24-,25-,26-,27-,28+,29-,30+,31-,32+,33+,34-,36+,37+,40-,41+,42-,43-,44+/m0/s1
C44H66O17866.98461100
71044168

17 of 19 defined stereocentres - 17/19 defined
InChI=1/C44H66O17/c1-39(2)11-13-44(38(56)61-37-32(54)31(53)30(52)25(18-45)58-37)14-12-42(5)21(22(44)16-39)7-8-27-40(3)17-23(47)35(41(4,20-46)26(40)9-10-43(27,42)6)60-36-33(55)34(24(48)19-57-36)59-29(51)15-28(49)50/h7,20,22-27,30-37,45,47-48,52-55H,8-19H2,1-6H3,(H,49,50)/t22-,23-,24+,25+,26?,27?,30+,31-,32+,33+,34-,35-,36-,37-,40-,41-,42+,43+,44-/m0/s1
C44H66O17866.98461200
76818762

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C44H66O17/c1-19(46)57-26-17-40(4,38(55)56)16-21-20-15-22(47)34-42(6)11-10-25(39(2,3)24(42)9-12-44(34,8)43(20,7)14-13-41(21,26)5)59-37-33(30(51)29(50)32(60-37)35(53)54)61-36-31(52)28(49)27(48)23(18-45)58-36/h15,21,23-34,36-37,45,48-52H,9-14,16-18H2,1-8H3,(H,53,54)(H,55,56)/t21-,23-,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,36+,37+,40-,41-,42+,43+,44-/m1/s1
C44H66O17866.98461100
98651711

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C44H66O17/c1-19(46)57-26-17-40(4,38(55)56)16-21-20-15-22(47)34-42(6)11-10-25(39(2,3)24(42)9-12-44(34,8)43(20,7)14-13-41(21,26)5)59-37-33(30(51)29(50)32(60-37)35(53)54)61-36-31(52)28(49)27(48)23(18-45)58-36/h15,21,23-34,36-37,45,48-52H,9-14,16-18H2,1-8H3,(H,53,54)(H,55,56)/t21-,23-,24+,25+,26-,27+,28+,29+,30+,31-,32+,33-,34-,36+,37-,40-,41-,42+,43-,44-/m1/s1
C44H66O17866.98461100
129305600

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C44H66O17/c1-19(46)57-26-17-40(4,38(55)56)16-21-20-15-22(47)34-42(6)11-10-25(39(2,3)24(42)9-12-44(34,8)43(20,7)14-13-41(21,26)5)59-37-33(30(51)29(50)32(60-37)35(53)54)61-36-31(52)28(49)27(48)23(18-45)58-36/h15,21,23-34,36-37,45,48-52H,9-14,16-18H2,1-8H3,(H,53,54)(H,55,56)/t21-,23+,24+,25+,26-,27-,28-,29-,30-,31+,32-,33+,34-,36-,37+,40-,41-,42+,43-,44-/m0/s1
C44H66O17866.98461100

Advertisement