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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
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Found 60 results

Search term: C29H42O11 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390419

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1
C29H42O11566.6372141704
12021

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3
C29H42O11566.63728600
21477371

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19-,20+,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1
C29H42O11566.63725602
23258515

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H42O11/c1-7-9-10-11-12-14-20(32)38-24-22-21(16(3)23(24)33)25-29(36,28(6,35)26(34)39-25)18(37-19(31)13-8-2)15-27(22,5)40-17(4)30/h18,22,24-25,35-36H,7-15H2,1-6H3/t18-,22+,24-,25-,27-,28+,29+/m0/s1
C29H42O11566.63725500
8778426

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19-,21-,22+,23-,24-,25+,26-,27+,28+,29+/m1/s1
C29H42O11566.63725400
30771443

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H42O11/c1-13-5-6-20-27(2,3)25(37)18(33)9-28(20,4)29(13)8-15-17(32)7-14(16(10-30)24(15)40-29)12-38-26-23(36)22(35)21(34)19(11-31)39-26/h7,10,13,18-23,25-26,31-37H,5-6,8-9,11-12H2,1-4H3/t13-,18-,19-,20+,21-,22+,23-,25-,26+,28+,29-/m1/s1
C29H42O11566.63725500
88298617

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19+,21+,22-,23+,24+,25?,26+,27-,28-,29-/m0/s1
C29H42O11566.63724300
140297

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C29H42O11/c1-26-17(14-6-24(34)37-12-14)4-5-28(26,35)18-3-2-15-7-20-21(10-27(15,13-31)19(18)9-22(26)32)39-25-29(36,40-20)23(33)8-16(11-30)38-25/h6,15-23,25,30-33,35-36H,2-5,7-13H2,1H3/t15-,16-,17+,18+,19-,20-,21?,22+,23-,25-,26-,27+,28?,29-/m0/s1
C29H42O11566.63724300
8992118

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H42O11/c1-13(30)37-19-9-17-10-29(24(34)18(17)12-36-8)22(19)28(7)11-20(38-14(2)31)26(40-16(4)33)27(5,6)23(28)21(25(29)35)39-15(3)32/h17-23,25-26,35H,9-12H2,1-8H3/t17-,18-,19+,20+,21-,22+,23-,25+,26+,28+,29+/m1/s1
C29H42O11566.63723200
3057575

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C29H42O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h9,16-22,24,30-32H,5-8,10-14H2,1-4H3
C29H42O11566.63723200
5143399

5 of 12 defined stereocentres - 5/12 defined
InChI=1/C29H42O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h9,16-22,24,30-32H,5-8,10-14H2,1-4H3/t16?,17-,18?,19?,20-,21?,22-,24?,26?,27-,28?,29-/m1/s1
C29H42O11566.63723200
8730375

InChI=1/C29H42O11/c30-24-25-20-28-23-29(21-25)40-19-15-36-11-7-32-5-9-34-13-17-38-27-3-1-2-26(22-27)37-16-12-33-8-4-31-6-10-35-14-18-39-28/h1-3,20-23,30H,4-19,24H2
C29H42O11566.63723200
23326632

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C29H42O11/c1-26-17(14-6-24(34)37-12-14)4-5-28(26,35)18-3-2-15-7-20-21(10-27(15,13-31)19(18)9-22(26)32)40-29(36)23(33)8-16(11-30)38-25(29)39-20/h6,15-23,25,30-33,35-36H,2-5,7-13H2,1H3/t15-,16-,17+,18+,19-,20+,21+,22+,23+,25-,26-,27+,28-,29-/m0/s1
C29H42O11566.63723300
22938238

3 of 14 defined stereocentres - 3/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3/t14?,16?,17?,18-,19-,21-,22?,23?,24?,25?,26?,27?,28?,29?/m1/s1
C29H42O11566.63723200
21799

9 of 14 defined stereocentres - 9/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3/t14?,16-,17+,18?,19+,21?,22+,23?,24?,25+,26+,27-,28-,29-/m0/s1
C29H42O11566.63723300
29699

9 of 14 defined stereocentres - 9/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14?,16-,17+,18?,19?,20+,22+,23?,24?,25-,26-,27-,28-,29-/m0/s1
C29H42O11566.63723300
17346522

6 of 14 defined stereocentres - 6/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17?,18?,19?,20?,22-,23+,24+,25-,26?,27?,28?,29?/m0/s1
C29H42O11566.63723200
17472767

5 of 14 defined stereocentres - 5/14 defined
InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3/t14?,16?,17-,18?,19+,21+,22?,23?,24?,25?,26+,27-,28?,29?/m0/s1
C29H42O11566.63723100
9961045

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C29H42O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(33)39-27-25(35)29(37)40-26(27)22(32)18-38-28(36)19-16-20(30)24(34)21(31)17-19/h16-17,22,26,30-32,34-35H,2-15,18H2,1H3/t22-,26+/m0/s1
C29H42O11566.63722100
10143030

4 of 12 defined stereocentres - 4/12 defined
InChI=1/C29H42O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h9,16-22,24,30-32H,5-8,10-14H2,1-4H3/t16?,17-,18?,19?,20?,21?,22-,24?,26?,27-,28?,29-/m1/s1
C29H42O11566.63722200
123

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