Matches any text strings used to describe a molecule.
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 62 results

Search term: C45H73NO15 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
66278

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
C45H73NO15868.058846446831
7828094

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,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
C45H73NO15868.0588433800
28033

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,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
C45H73NO15868.058817189515
5020632

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,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
C45H73NO15868.05881619171592
147795

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1
C45H73NO15868.058810800
230519

0 of 26 defined stereocentres - 0/26 defined
InChI=1/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3
C45H73NO15868.0588106400
386606

0 of 26 defined stereocentres - 0/26 defined
InChI=1/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3
C45H73NO15868.05886800
52563678

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-41-37(54)35(52)38(29(18-47)58-41)59-42-39(34(51)32(49)22(4)56-42)60-40-36(53)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37-,38-,39-,40+,41-,42+,43+,44+,45+/m1/s1
C45H73NO15868.05886800
391287

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,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
C45H73NO15868.058859170590
5145943

20 of 25 defined stereocentres - 20/25 defined
InChI=1/C45H73NO15/c1-20-6-9-28-21(2)33-29(46(28)17-20)15-27-25-8-7-23-14-24(10-12-43(23,4)26(25)11-13-44(27,33)5)59-45(61-42-40(55)37(52)34(49)22(3)56-42)16-30(35(50)32(19-48)60-45)57-41-39(54)38(53)36(51)31(18-47)58-41/h7,20-22,24-42,47-55H,6,8-19H2,1-5H3/t20-,21+,22?,24-,25+,26-,27-,28+,29-,30+,31?,32?,33-,34-,35+,36+,37-,38+,39?,40?,41+,42+,43-,44-,45-/m0/s1
C45H73NO15868.05884300
22913809

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,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
C45H73NO15868.05884200
5036647

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C45H73NO15/c1-20-6-9-28-21(2)33-29(46(28)17-20)15-27-25-8-7-23-14-24(10-12-43(23,4)26(25)11-13-44(27,33)5)59-45(61-42-40(55)37(52)34(49)22(3)56-42)16-30(35(50)32(19-48)60-45)57-41-39(54)38(53)36(51)31(18-47)58-41/h7,20-22,24-42,47-55H,6,8-19H2,1-5H3/t20-,21+,22-,24-,25+,26-,27-,28+,29-,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41+,42+,43-,44+,45+/m0/s1
C45H73NO15868.05883300
68894719

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m0/s1
C45H73NO15868.05883100
266551

0 of 26 defined stereocentres - 0/26 defined
InChI=1/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)58-43-38(54)35(51)33(49)30(60-43)18-56-41-39(55)36(52)40(29(17-47)59-41)61-42-37(53)34(50)32(48)21(3)57-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3
C45H73NO15868.05883200
229855

11 of 26 defined stereocentres - 11/26 defined
InChI=1/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21?,22?,24-,25+,26-,27-,28-,29?,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43-,44-,45-/m0/s1
C45H73NO15868.05882200
513982

0 of 26 defined stereocentres - 0/26 defined
InChI=1/C45H73NO15/c1-19-7-10-27-20(2)30-28(46(27)17-19)16-26-24-9-8-22-15-23(11-13-44(22,4)25(24)12-14-45(26,30)5)57-43-39(60-41-35(52)33(50)31(48)21(3)56-41)38(37(54)40(55-6)61-43)59-42-36(53)34(51)32(49)29(18-47)58-42/h8,19-21,23-43,47-54H,7,9-18H2,1-6H3
C45H73NO15868.05882200
3375262

0 of 26 defined stereocentres - 0/26 defined
InChI=1/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-42-37(54)39(33(50)29(17-47)58-42)61-43-38(55)40(34(51)30(18-48)59-43)60-41-36(53)35(52)32(49)21(3)56-41/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3
C45H73NO15868.0588199999982100
4911203

19 of 26 defined stereocentres - 19/26 defined
InChI=1/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19?,20?,21-,22-,24+,25-,26?,27?,28?,29-,30?,31-,32+,33-,34-,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45?/m1/s1
C45H73NO15868.05882200
4950727

Double-bond stereo

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C45H73NO15/c1-13-34-32(23-48)19-25(4)14-15-33(50)26(5)20-31(16-17-47)41(27(6)35(57-30(9)49)21-37(52)58-34)61-44-40(53)39(46(11)12)42(28(7)56-44)60-38-22-45(10,54)43(29(8)55-38)59-36(51)18-24(2)3/h14-15,17,19,24,26-29,31-32,34-35,38-44,48,53-54H,13,16,18,20-23H2,1-12H3/b15-14+,25-19+
C45H73NO15868.05882200
10181216

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40-,41+,42-,43+,44+,45-/m1/s1
C45H73NO15868.05882200
1234

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