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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 18 results

Search term: C43H69NO10 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
32701956

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C43H69NO10/c1-11-27-14-13-15-36(54-38-17-16-35(44(7)8)25(5)50-38)24(4)39(46)34-21-32-30(33(34)22-37(45)52-27)18-23(3)29-19-28(20-31(29)32)53-43-42(48-10)41(49-12-2)40(47-9)26(6)51-43/h18,21,24-33,35-36,38,40-43H,11-17,19-20,22H2,1-10H3/t24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,35+,36+,38+,40+,41-,42-,43+/m1/s1
C43H69NO10760.0087172300
30808991

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C43H69NO10/c1-38(2)19-21-43(37(51)44-23-11-9-10-12-30(45)52-8)22-20-41(6)25(26(43)24-38)13-14-28-40(5)17-16-29(39(3,4)27(40)15-18-42(28,41)7)53-36-33(48)31(46)32(47)34(54-36)35(49)50/h13,26-29,31-34,36,46-48H,9-12,14-24H2,1-8H3,(H,44,51)(H,49,50)/t26-,27-,28+,29-,31-,32-,33-,34-,36-,40-,41+,42+,43-/m0/s1
C43H69NO10760.00873300
17257335

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C43H69NO10/c1-23-35(54-38-18-17-34(44(4)5)24(2)50-38)13-10-14-36(26-11-9-12-26)53-37(45)22-32-29-16-15-27-19-28(20-30(27)31(29)21-33(32)39(23)46)52-43-42(49-8)41(48-7)40(47-6)25(3)51-43/h21,23-32,34-36,38,40-43H,9-20,22H2,1-8H3/t23-,24-,25+,27-,28-,29-,30-,31-,32+,34+,35+,36-,38+,40+,41-,42-,43+/m1/s1
C43H69NO10760.00873300
25085018

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C43H69NO10/c44-32-39-23-40(51-13-9-47-5-1-45-3-7-49-11-15-53-42-26-33-17-34(27-42)19-35(18-33)28-42)25-41(24-39)52-14-10-48-6-2-46-4-8-50-12-16-54-43-29-36-20-37(30-43)22-38(21-36)31-43/h23-25,33-38H,1-22,26-32,44H2/t33-,34+,35?,36-,37+,38?,42-,43-
C43H69NO10760.00872300
30808990

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C43H69NO10/c1-38(2)19-21-43(37(51)44-23-11-9-10-12-30(45)52-8)22-20-41(6)25(26(43)24-38)13-14-28-40(5)17-16-29(39(3,4)27(40)15-18-42(28,41)7)53-36-33(48)31(46)32(47)34(54-36)35(49)50/h13,26-29,31-34,36,46-48H,9-12,14-24H2,1-8H3,(H,44,51)(H,49,50)/t26-,27-,28+,29-,31-,32-,33+,34-,36+,40-,41+,42+,43-/m0/s1
C43H69NO10760.00872200
8007749

3 of 17 defined stereocentres - 3/17 defined
InChI=1/C43H69NO10/c1-11-26-14-13-15-36(53-38-17-16-34(44(6)7)25(5)50-38)24(4)39(46)33-21-31-29(32(33)22-37(45)51-26)18-23(3)28-19-27(20-30(28)31)52-43-42(49-10)41(48-9)40(47-8)35(12-2)54-43/h18,21,24-32,34-36,38,40-43H,11-17,19-20,22H2,1-10H3/t24?,25-,26?,27?,28?,29?,30?,31?,32?,34-,35+,36?,38?,40?,41?,42?,43?/m1/s1
C43H69NO10760.00872100
8137790

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C43H69NO10/c1-10-15-32(16-11-2)35(46)26-34(45)30(7)39(28(5)24-31-21-19-27(4)38(25-31)52-9)53-42(49)33-18-13-14-23-44(33)41(48)40(47)43(50)29(6)20-22-37(54-43)36(51-8)17-12-3/h10-12,17,27-34,36-39,45,50H,1-2,13-16,18-26H2,3-9H3/b17-12-/t27-,28-,29-,30-,31+,33+,34+,36+,37?,38-,39-,43-/m1/s1
C43H69NO10760.00872100
8231470

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C43H69NO10/c1-9-31-20-26(4)19-25(3)14-17-37-32(10-2)22-28(6)43(51,54-37)40(48)41(49)44-18-12-11-13-33(44)42(50)53-39(29(7)35(46)24-36(31)47)27(5)21-30-15-16-34(45)38(23-30)52-8/h20-21,25,28-35,37-39,45-46,51H,9-19,22-24H2,1-8H3/b26-20+,27-21+/t25-,28-,29-,30+,31-,32+,33+,34-,35+,37-,38-,39-,43-/m1/s1
C43H69NO10760.00872100
8388061

Double-bond stereo

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C43H69NO10/c1-10-31-20-26(3)19-25(2)14-15-36-27(4)21-29(6)43(51,54-36)39(48)40(49)44-18-12-11-13-32(44)41(50)53-38(30(7)34(46)22-35(31)47)28(5)23-42(8)17-16-33(45)37(24-42)52-9/h20,23,25,27,29-34,36-38,45-46,51H,10-19,21-22,24H2,1-9H3/b26-20+,28-23+/t25-,27+,29-,30-,31-,32?,33-,34+,36+,37-,38-,42-,43-/m1/s1
C43H69NO10760.00872100
8388062

Double-bond stereo

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C43H69NO10/c1-10-31-21-26(3)19-25(2)20-27(4)36-15-14-29(6)43(51,54-36)39(48)40(49)44-18-12-11-13-32(44)41(50)53-38(30(7)34(46)22-35(31)47)28(5)23-42(8)17-16-33(45)37(24-42)52-9/h21,23,25,27,29-34,36-38,45-46,51H,10-20,22,24H2,1-9H3/b26-21+,28-23+/t25-,27-,29+,30+,31+,32?,33+,34-,36-,37+,38+,42+,43+/m0/s1
C43H69NO10760.00872100
8415974

3 of 17 defined stereocentres - 3/17 defined
InChI=1/C43H69NO10/c1-11-34-40(47-8)41(48-9)42(49-10)43(54-34)51-27-19-26-15-16-28-30(29(26)20-27)21-32-31(28)22-37(45)52-35(23(2)3)13-12-14-36(24(4)39(32)46)53-38-18-17-33(44(6)7)25(5)50-38/h15-16,21,23-31,33-36,38,40-43H,11-14,17-20,22H2,1-10H3/t24?,25-,26?,27?,28?,29?,30?,31?,33-,34+,35?,36?,38?,40?,41?,42?,43?/m1/s1
C43H69NO10760.00872100
8415975

3 of 17 defined stereocentres - 3/17 defined
InChI=1/C43H69NO10/c1-10-13-27-14-12-15-36(53-38-19-18-34(44(5)6)25(4)50-38)24(3)39(46)33-22-31-29(32(33)23-37(45)51-27)17-16-26-20-28(21-30(26)31)52-43-42(49-9)41(48-8)40(47-7)35(11-2)54-43/h16-17,22,24-32,34-36,38,40-43H,10-15,18-21,23H2,1-9H3/t24?,25-,26?,27?,28?,29?,30?,31?,32?,34-,35+,36?,38?,40?,41?,42?,43?/m1/s1
C43H69NO10760.00872100
8488165

3 of 17 defined stereocentres - 3/17 defined
InChI=1/C43H69NO10/c1-10-26-14-13-15-36(53-38-19-18-34(44(5)6)24(4)50-38)28(11-2)39(46)33-22-31-29(32(33)23-37(45)51-26)17-16-25-20-27(21-30(25)31)52-43-42(49-9)41(48-8)40(47-7)35(12-3)54-43/h16-17,22,24-32,34-36,38,40-43H,10-15,18-21,23H2,1-9H3/t24-,25?,26?,27?,28?,29?,30?,31?,32?,34-,35+,36?,38?,40?,41?,42?,43?/m1/s1
C43H69NO10760.00872100
17257333

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C43H69NO10/c1-11-23(2)35-13-12-14-36(54-38-18-17-34(44(6)7)25(4)50-38)24(3)39(46)33-21-31-29(32(33)22-37(45)53-35)16-15-27-19-28(20-30(27)31)52-43-42(49-10)41(48-9)40(47-8)26(5)51-43/h15-16,21,23-32,34-36,38,40-43H,11-14,17-20,22H2,1-10H3/t23?,24-,25-,26+,27-,28-,29-,30-,31-,32+,34+,35-,36+,38+,40+,41-,42-,43+/m1/s1
C43H69NO10760.00871100
17257340

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C43H69NO10/c1-22(2)35-13-12-14-36(54-38-16-15-34(44(7)8)25(5)50-38)24(4)39(46)33-20-31-29(32(33)21-37(45)53-35)17-23(3)28-18-27(19-30(28)31)52-43-42(49-11)41(48-10)40(47-9)26(6)51-43/h17,20,22,24-32,34-36,38,40-43H,12-16,18-19,21H2,1-11H3/t24-,25-,26+,27-,28+,29-,30-,31-,32+,34+,35-,36+,38+,40+,41-,42-,43+/m1/s1
C43H69NO10760.00871100
71048362

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C43H69NO10/c1-11-27-14-13-15-36(54-38-17-16-35(44(7)8)25(5)50-38)24(4)39(46)34-21-32-30(33(34)22-37(45)52-27)18-23(3)29-19-28(20-31(29)32)53-43-42(48-10)41(49-12-2)40(47-9)26(6)51-43/h18,21,24-33,35-36,38,40-43H,11-17,19-20,22H2,1-10H3/t24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,35+,36+,38+,40+,41-,42-,43?/m1/s1
C43H69NO10760.00871100
118210166

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C43H69NO10/c1-11-27-14-13-15-36(54-38-17-16-35(44(7)8)25(5)50-38)24(4)39(46)34-21-32-30(33(34)22-37(45)52-27)18-23(3)29-19-28(20-31(29)32)53-43-42(48-10)41(49-12-2)40(47-9)26(6)51-43/h18,21,24-33,35-36,38,40-43H,11-17,19-20,22H2,1-10H3/t24-,25-,26+,27+,28-,29+,30-,31-,32-,33-,35+,36+,38+,40+,41-,42-,43+/m1/s1
C43H69NO10760.00871100

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