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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 11 results

Search term: C39H63NO10 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10181229

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1
C39H63NO10705.9182122000
32698183

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1
C39H63NO10705.91824700
141012

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-34(46)32(44)35(28(17-41)49-37)50-36-33(45)31(43)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22?,23+,24?,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39-/m0/s1
C39H63NO10705.91824400
8570458

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C39H63NO10/c1-12-31-39(8,45)29(18-19-41)24(3)20-23(2)22-38(7,46-11)34(50-37-32(42)30(40(9)10)21-25(4)47-37)26(5)33(27(6)35(43)48-31)49-36(44)28-16-14-13-15-17-28/h13-17,20,23,25-27,29-34,37,41-42,45H,12,18-19,21-22H2,1-11H3/b24-20-/t23-,25+,26+,27+,29-,30-,31+,32+,33+,34+,37-,38+,39-/m0/s1
C39H63NO10705.91822100
9116772

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H63NO10/c1-39(2,3)50-38(43)40-33-29-31(36(41)48-26-16-10-6-4-8-14-22-44-34-20-12-18-24-46-34)28-32(30-33)37(42)49-27-17-11-7-5-9-15-23-45-35-21-13-19-25-47-35/h28-30,34-35H,4-27H2,1-3H3,(H,40,43)
C39H63NO10705.91822100
9643015

1 of 8 defined stereocentres - 1/8 defined
InChI=1/C39H63NO10/c1-28(41)20-45-30(3)22-47-32(5)24-49-34(7)26-50-33(6)25-48-31(4)23-46-29(2)21-44-27-37(19-36-11-9-8-10-12-36)40-39(43)18-15-35-13-16-38(42)17-14-35/h8-14,16-17,28-34,37,41-42H,15,18-27H2,1-7H3,(H,40,43)/t28?,29?,30?,31?,32?,33?,34?,37-/m0/s1
C39H63NO10705.91822100
10145839

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20+,22-,23+,24-,25-,26+,27-,28+,29-,30+,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1
C39H63NO10705.91822200
62987319

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-34(46)32(44)35(28(17-41)49-37)50-36-33(45)31(43)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39-/m0/s1
C39H63NO10705.91822100
23325919

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C39H63NO10/c1-9-40(10-2)35(41)42-21-26(19-31-24(5)29-13-11-22(3)27-15-17-36(7)45-33(43-31)38(27,29)49-47-36)20-32-25(6)30-14-12-23(4)28-16-18-37(8)46-34(44-32)39(28,30)50-48-37/h22-34H,9-21H2,1-8H3/t22-,23-,24-,25-,27+,28+,29+,30+,31-,32-,33-,34-,36+,37+,38-,39-/m1/s1
C39H63NO10705.91822200
106638

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20+,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1
C39H63NO10705.91822200
128312988

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C39H63NO10/c1-21(2)22-11-16-39(34(46)47)18-17-37(6)23(29(22)39)9-10-26-36(5)14-13-27(35(3,4)25(36)12-15-38(26,37)7)50-28(42)19-40(48-8)33-32(45)31(44)30(43)24(20-41)49-33/h22-27,29-33,41,43-45H,1,9-20H2,2-8H3,(H,46,47)
C39H63NO10705.91821100

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