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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
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Single/Multi-component
Isotopically Labeled
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Found 11 results

Search term: C33H38O20 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9040837

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C33H38O20/c1-32(45,8-20(38)39)9-21(40)48-10-19-23(41)25(43)28(53-31-29(44)33(46,11-34)12-49-31)30(51-19)52-27-24(42)22-17(37)6-14(47-2)7-18(22)50-26(27)13-3-4-15(35)16(36)5-13/h3-7,19,23,25,28-31,34-37,41,43-46H,8-12H2,1-2H3,(H,38,39)/t19-,23+,25+,28-,29+,30+,31+,32?,33?/m1/s1
C33H38O20754.64282100
103884561

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C33H38O20/c1-33(47,8-19(37)38)9-20(39)48-11-18-23(41)26(44)28(46)32(52-18)53-30-24(42)21-15(36)6-14(49-31-27(45)25(43)22(40)17(10-34)51-31)7-16(21)50-29(30)12-2-4-13(35)5-3-12/h2-7,17-18,22-23,25-28,31-32,34-36,40-41,43-47H,8-11H2,1H3,(H,37,38)/t17-,18-,22-,23-,25+,26+,27-,28-,31-,32+,33?/m1/s1
C33H38O20754.64282200
58918068

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C33H38O20/c1-11-22(41)25(44)27(46)31(49-11)53-30-26(45)23(42)18(10-48-20(40)9-33(2,47)8-19(38)39)51-32(30)52-29-24(43)21-16(37)6-13(34)7-17(21)50-28(29)12-3-4-14(35)15(36)5-12/h3-7,11,18,22-23,25-27,30-32,34-37,41-42,44-47H,8-10H2,1-2H3,(H,38,39)/t11-,18+,22-,23-,25+,26-,27+,30+,31-,32-,33?/m0/s1
C33H38O20754.64282200
74886650

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C33H38O20/c34-7-12-17(37)20(40)23(43)29(50-12)14-10(36)6-11-15(28(14)52-33-26(46)22(42)25(45)31(53-33)32(47)48)19(39)16(27(49-11)9-4-2-1-3-5-9)30-24(44)21(41)18(38)13(8-35)51-30/h1-6,12-13,17-18,20-26,29-31,33-38,40-46H,7-8H2,(H,47,48)
C33H38O20754.64281100
112747300

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C33H38O20/c1-33(47,8-19(38)39)9-20(40)48-11-18-23(42)26(45)30(53-31-27(46)25(44)22(41)17(10-34)50-31)32(51-18)52-29-24(43)21-15(37)6-14(36)7-16(21)49-28(29)12-2-4-13(35)5-3-12/h2-7,17-18,22-23,25-27,30-32,34-37,41-42,44-47H,8-11H2,1H3,(H,38,39)/t17-,18-,22-,23-,25+,26+,27-,30-,31+,32+,33?/m1/s1
C33H38O20754.64281100
115269544

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H38O20/c1-9-20(36)22(38)26(42)31(47-9)51-15-4-3-11(5-17(15)52-32-27(43)23(39)21(37)10(2)48-32)16-8-14(35)19-13(34)6-12(7-18(19)50-16)49-33-28(44)24(40)25(41)29(53-33)30(45)46/h3-10,20-29,31-34,36-44H,1-2H3,(H,45,46)/t9-,10-,20-,21-,22+,23+,24-,25-,26+,27+,28+,29-,31-,32-,33+/m0/s1
C33H38O20754.64281100
115270220

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H38O20/c1-11(35)47-10-20-29(48-12(2)36)25(42)26(43)32(51-20)52-30-23(40)19(9-34)50-33(27(30)44)53-31-24(41)21-15(38)7-14(37)8-16(21)49-28(31)13-5-17(45-3)22(39)18(6-13)46-4/h5-8,19-20,23,25-27,29-30,32-34,37-40,42-44H,9-10H2,1-4H3/t19-,20-,23+,25-,26-,27-,29-,30+,32+,33+/m1/s1
C33H38O20754.64281100
24843713

9 of 15 defined stereocentres - 9/15 defined
InChI=1/C33H38O20/c1-9-20(36)22(38)26(42)31(47-9)51-15-4-3-11(5-17(15)52-32-27(43)23(39)21(37)10(2)48-32)16-8-14(35)19-13(34)6-12(7-18(19)50-16)49-33-28(44)24(40)25(41)29(53-33)30(45)46/h3-10,20-29,31-34,36-44H,1-2H3,(H,45,46)/t9?,10-,20-,21-,22?,23?,24-,25-,26-,27?,28?,29?,31-,32-,33+/m0/s1
C33H38O20754.64281100
24844551

5 of 11 defined stereocentres - 5/11 defined
InChI=1/C33H38O20/c1-33(47,8-19(37)38)9-20(39)48-11-18-23(41)26(44)28(46)32(52-18)53-30-24(42)21-15(36)6-14(49-31-27(45)25(43)22(40)17(10-34)51-31)7-16(21)50-29(30)12-2-4-13(35)5-3-12/h2-7,17-18,22-23,25-28,31-32,34-36,40-41,43-47H,8-11H2,1H3,(H,37,38)/t17?,18?,22-,23-,25+,26?,27?,28?,31-,32+,33?/m1/s1
C33H38O20754.64281100
24845173

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C33H38O20/c1-11(35)47-10-20-29(48-12(2)36)25(42)26(43)32(51-20)52-30-23(40)19(9-34)50-33(27(30)44)53-31-24(41)21-15(38)7-14(37)8-16(21)49-28(31)13-5-17(45-3)22(39)18(6-13)46-4/h5-8,19-20,23,25-27,29-30,32-34,37-40,42-44H,9-10H2,1-4H3/t19?,20?,23-,25+,26?,27+,29+,30?,32-,33-/m0/s1
C33H38O20754.64281100
28287333

12 of 15 defined stereocentres - 12/15 defined
InChI=1/C33H38O20/c1-10-20(37)22(39)26(43)31(48-10)47-9-18-21(38)24(41)29(53-32-27(44)23(40)25(42)28(52-32)30(45)46)33(51-18)49-13-6-14(35)19-15(36)8-16(50-17(19)7-13)11-2-4-12(34)5-3-11/h2-8,10,18,20-29,31-35,37-44H,9H2,1H3,(H,45,46)/t10-,18-,20+,21?,22-,23-,24-,25+,26?,27+,28+,29+,31?,32-,33-/m1/s1
C33H38O20754.64281100

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