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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 263 results

Search term: C28H38O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
233064


11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
C28H38O6470.5977538000
4320330
InChI=1/C28H38O6/c1-3-31-27(29)23-13-17-25(18-14-23)33-21-11-9-7-5-6-8-10-12-22-34-26-19-15-24(16-20-26)28(30)32-4-2/h13-20H,3-12,21-22H2,1-2H3
C28H38O6470.59772364000
9469353

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1
C28H38O6470.59773247254
5293487

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H38O6/c1-26-11-10-18(30)12-17(26)8-9-19-20-13-23-28(22(32)15-29,27(20,2)14-21(31)24(19)26)34-25(33-23)16-6-4-3-5-7-16/h10-12,16,19-21,23-25,29,31H,3-9,13-15H2,1-2H3/t19-,20-,21-,23+,24+,25+,26-,27-,28+/m0/s1
C28H38O6470.59772303600
10294995

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1
C28H38O6470.5977223400
141995

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1
C28H38O6470.5977202311664
21468873

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1
C28H38O6470.5977152200
21259130

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H38O6/c1-26-11-10-18(30)12-17(26)8-9-19-20-13-23-28(22(32)15-29,27(20,2)14-21(31)24(19)26)34-25(33-23)16-6-4-3-5-7-16/h10-12,16,19-21,23-25,29,31H,3-9,13-15H2,1-2H3/t19-,20-,21-,23-,24+,25+,26-,27-,28+/m0/s1
C28H38O6470.5977131300
8349550

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H38O6/c1-6-7-8-9-12-27(2,3)17-13-22(30)26(23(14-17)34-25(33)11-10-24(31)32)18-15-21(29)20-16-19(18)28(20,4)5/h10-11,13-14,18-20,30H,6-9,12,15-16H2,1-5H3,(H,31,32)/b11-10+/t18-,19-,20+/m0/s1
C28H38O6470.5977131400
3616828

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C28H38O6/c1-3-31-17-21-8-12-23(13-9-21)19-33-27(29)25-6-5-7-26(16-25)28(30)34-20-24-14-10-22(11-15-24)18-32-4-2/h3-7,16,21-24H,1-2,8-15,17-20H2
C28H38O6470.59772111200
35308421

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/b14-9-/t16-,18+,19-,20+,22+,23-,27+,28?/m1/s1
C28H38O6470.5977101200
4360523

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C28H38O6/c1-3-31-17-21-5-9-23(10-6-21)19-33-27(29)25-13-15-26(16-14-25)28(30)34-20-24-11-7-22(8-12-24)18-32-4-2/h3-4,13-16,21-24H,1-2,5-12,17-20H2
C28H38O6470.5977291100
3372978
InChI=1/C28H38O6/c1-21-19-26-8-6-24-4-3-23(5-7-25(21)20-22(26)2)27-28(24)34-18-16-32-14-12-30-10-9-29-11-13-31-15-17-33-27/h3-4,19-20H,5-18H2,1-2H3
C28H38O6470.597727800
22943310

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19?,20-,22+,24+,25+,26+,27-,28?/m1/s1
C28H38O6470.59777800
23014384

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20?,21+,23-,24+,26+,27-,28+/m0/s1
C28H38O6470.59777700
35143278

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/b14-9-/t16-,18?,19?,20?,22+,23-,27?,28-/m1/s1
C28H38O6470.59777800
28489659

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
C28H38O6470.59776700
20576631

7 of 11 defined stereocentres - 7/11 defined
InChI=1/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16?,18?,19-,20?,21?,23-,24+,26+,27-,28+/m0/s1
C28H38O6470.59776600
504212

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3
C28H38O6470.59776700
5140912

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C28H38O6/c1-16(29)33-22-13-19-25(2,3)21(30)8-11-26(19,4)18-7-10-27(5)20(28(18,22)6)14-23(31)34-24(27)17-9-12-32-15-17/h9,12,14-15,18-19,21-22,24,30H,7-8,10-11,13H2,1-6H3/t18?,19?,21-,22+,24-,26?,27+,28?/m0/s1
C28H38O6470.597762000
12345

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