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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 11 results

Search term: C45H76O20 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4884910

20 of 28 defined stereocentres - 20/28 defined
InChI=1/C45H76O20/c1-18(17-59-40-37(56)34(53)31(50)27(14-46)61-40)7-10-45(58)19(2)30-26(65-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)60-42-39(36(55)33(52)29(16-48)63-42)64-41-38(57)35(54)32(51)28(15-47)62-41/h18-42,46-58H,5-17H2,1-4H3/t18?,19?,20-,21?,22?,23?,24+,25-,26?,27-,28-,29-,30?,31-,32-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44+,45?/m1/s1
C45H76O20937.07292200
8051972

16 of 28 defined stereocentres - 16/28 defined
InChI=1/C45H76O20/c1-18(17-59-40-35(56)33(54)37(62-40)25(50)14-46)7-10-45(58)19(2)30-28(65-45)12-23-21-6-5-20-11-27(24(49)13-44(20,4)22(21)8-9-43(23,30)3)60-42-39(36(57)38(63-42)26(51)15-47)64-41-34(55)32(53)31(52)29(16-48)61-41/h18-42,46-58H,5-17H2,1-4H3/t18-,19?,20?,21?,22?,23?,24-,25?,26?,27+,28?,29+,30?,31+,32-,33+,34+,35+,36-,37+,38-,39+,40+,41-,42+,43?,44?,45?/m0/s1
C45H76O20937.07292100
8186653

25 of 28 defined stereocentres - 25/28 defined
InChI=1/C45H76O20/c1-18(17-59-40-37(56)34(53)31(50)27(14-46)61-40)7-10-45(58)19(2)30-26(65-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)60-42-39(36(55)33(52)29(16-48)63-42)64-41-38(57)35(54)32(51)28(15-47)62-41/h18-42,46-58H,5-17H2,1-4H3/t18-,19+,20-,21-,22+,23+,24+,25-,26?,27-,28-,29-,30?,31-,32+,33-,34+,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,45?/m1/s1
C45H76O20937.07292100
9345644

27 of 28 defined stereocentres - 27/28 defined
InChI=1/C45H76O20/c1-18(17-59-39-35(54)33(52)31(50)26(15-46)62-39)6-11-45(58)19(2)29-25(65-45)13-24-22-12-28(48)44(57)14-21(7-10-43(44,5)23(22)8-9-42(24,29)4)61-41-37(56)34(53)38(27(16-47)63-41)64-40-36(55)32(51)30(49)20(3)60-40/h18-41,46-58H,6-17H2,1-5H3/t18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40+,41+,42-,43+,44+,45?/m0/s1
C45H76O20937.07292100
9654898

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H76O20/c1-6-23-26(62-30(49)8-7-19(2)18-59-40-36(55)34(53)32(51)27(16-46)63-40)14-25-22-13-29(48)45(58)15-21(9-12-44(45,5)24(22)10-11-43(23,25)4)61-42-38(57)35(54)39(28(17-47)64-42)65-41-37(56)33(52)31(50)20(3)60-41/h19-29,31-42,46-48,50-58H,6-18H2,1-5H3/t19-,20-,21-,22+,23-,24-,25-,26-,27+,28+,29-,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+/m0/s1
C45H76O20937.07292100
24713282

Double-bond stereo

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C45H76O20/c1-7-9-15-18-26-19-16-13-11-10-12-14-17-20-28(47)61-39-36(63-42-35(54)32(51)29(48)23(4)56-42)25(6)58-45(40(39)62-41(55)22(3)8-2)65-38-34(53)31(50)27(21-46)60-44(38)64-37-33(52)30(49)24(5)57-43(37)59-26/h8,23-27,29-40,42-46,48-54H,7,9-21H2,1-6H3/b22-8+/t23-,24-,25-,26?,27-,29+,30+,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,42-,43+,44+,45+/m1/s1
C45H76O20937.07292200
28524302

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C45H76O20/c1-17(2)31(50)25(49)10-18(3)30-26(62-43-40(59)36(55)33(52)28(15-47)64-43)13-22-20-12-24(48)23-11-19(6-8-44(23,4)21(20)7-9-45(22,30)5)61-42-39(58)37(56)34(53)29(65-42)16-60-41-38(57)35(54)32(51)27(14-46)63-41/h17-23,25-43,46-47,49-59H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43-,44-,45+/m1/s1
C45H76O20937.07292200
115284705

27 of 28 defined stereocentres - 27/28 defined
InChI=1/C45H76O20/c1-18(17-59-40-37(56)34(53)31(50)27(14-46)61-40)7-10-45(58)19(2)30-26(65-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)60-42-39(36(55)33(52)29(16-48)63-42)64-41-38(57)35(54)32(51)28(15-47)62-41/h18-42,46-58H,5-17H2,1-4H3/t18-,19+,20-,21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,45?/m1/s1
C45H76O20937.07292200
115015832

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C45H76O20/c1-18(17-59-40-37(56)34(53)31(50)27(14-46)61-40)7-10-45(58)19(2)30-26(65-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)60-42-39(36(55)33(52)29(16-48)63-42)64-41-38(57)35(54)32(51)28(15-47)62-41/h18-42,46-58H,5-17H2,1-4H3/t18-,19+,20-,21-,22+,23+,24+,25-,26+,27-,28-,29-,30?,31-,32-,33+,34+,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,45?/m1/s1
C45H76O20937.07291100
20574481

27 of 28 defined stereocentres - 27/28 defined
InChI=1/C45H76O20/c1-18(17-59-40-37(56)34(53)31(50)26(14-46)61-40)7-10-45(58)19(2)30-25(65-45)13-24-22-6-5-20-11-21(12-29(49)44(20,4)23(22)8-9-43(24,30)3)60-42-39(36(55)33(52)28(16-48)63-42)64-41-38(57)35(54)32(51)27(15-47)62-41/h18-42,46-58H,5-17H2,1-4H3/t18-,19+,20-,21-,22-,23+,24+,25+,26-,27-,28-,29-,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,45?/m1/s1
C45H76O20937.07291100

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