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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 155 results

Search term: C30H42O8 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4447658

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1
C30H42O8530.649751990118
28481943

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19-20,25,33,36H,8-13H2,1-7H3,(H,37,38)/t14-,15?,17-,19+,20+,25-,28+,29+,30+/m1/s1
C30H42O8530.6497212000
33823558

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C30H42O8/c1-16-23(32)25(34-4)24(33)26(36-16)37-19-6-9-27(2)18(14-19)5-11-29-21(27)8-10-28(3)20(7-12-30(28,29)38-29)17-13-22(31)35-15-17/h7,13,16,18-19,21,23-26,32-33H,5-6,8-12,14-15H2,1-4H3/t16-,18-,19+,21-,23+,24-,25+,26+,27+,28-,29+,30-/m1/s1
C30H42O8530.6497171400
16737910

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-19,25,32,36H,8-13H2,1-7H3,(H,37,38)/t14-,15?,17-,18+,19+,25-,28+,29+,30+/m1/s1
C30H42O8530.6497141436
57257080

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19-20,25,33,36H,8-13H2,1-7H3,(H,37,38)/t14-,15-,17-,19?,20+,25-,28+,29+,30+/m1/s1
C30H42O8530.649711800
58802161

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-19,25,32,36H,8-13H2,1-7H3,(H,37,38)/t14-,15?,17-,18+,19+,25?,28+,29+,30+/m1/s1
C30H42O8530.6497111200
4476345

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-19,25,32,36H,8-13H2,1-7H3,(H,37,38)/t14-,15?,17-,18+,19?,25-,28+,29+,30+/m1/s1
C30H42O8530.649710800
78442635

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C30H42O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-20,32,38H,8-14H2,1-7H3,(H,36,37)/t15?,17-,19-,20-,27-,28+,29?,30-/m0/s1
C30H42O8530.64979900
22913013

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21?,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1
C30H42O8530.64977400
4945829

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H42O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h9,14,16,20-21,24-25,27,34-35H,10-13H2,1-8H3/b15-9+/t16-,20+,21+,24+,25+,27+,29-,30+/m0/s1
C30H42O8530.64976600
10264368

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H42O8/c1-15(9-10-22(35)37-8)17-13-21(34)30(7)23-18(32)14-19-27(3,4)20(33)11-12-28(19,5)24(23)25(36)26(29(17,30)6)38-16(2)31/h15,17,19-20,26,33H,9-14H2,1-8H3/t15-,17-,19+,20+,26-,28+,29+,30+/m1/s1
C30H42O8530.64976700
17347099

5 of 12 defined stereocentres - 5/12 defined
InChI=1/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19?,20?,21?,22?,24-,25+,26+,27-,28?,29?,30?/m0/s1
C30H42O8530.64975300
8004169

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21?,22?,24-,25+,26+,27-,28-,29+,30-/m0/s1
C30H42O8530.64975400
30776826

Double-bond stereo
InChI=1/C30H42O8/c1-21(12-8-14-23(3)16-17-37-29(35)25(5)18-27(31)32)10-7-11-22(2)13-9-15-24(4)20-38-30(36)26(6)19-28(33)34/h11-12,15-16,18-19H,7-10,13-14,17,20H2,1-6H3,(H,31,32)(H,33,34)/b21-12+,22-11+,23-16+,24-15+,25-18+,26-19+
C30H42O8530.64975500
58922073

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17-20,25,32-33,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10-/t15?,17-,18+,19+,20+,25-,28+,29+,30+/m1/s1
C30H42O8530.64975500
90615843

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-19,25,32,36H,8-13H2,1-7H3,(H,37,38)/t14-,15-,17-,18+,19+,25?,28+,29+,30+/m1/s1
C30H42O8530.64975300
114935450

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17-20,25,32-33,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10-/t15?,17-,18+,19?,20+,25-,28+,29+,30+/m1/s1
C30H42O8530.64974400
82965121

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-19,25,32,36H,8-13H2,1-7H3,(H,37,38)/t14-,15?,17-,18+,19+,25?,28+,29+,30+/m0/s1
C30H42O8530.64974300
27023101

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C30H42O8/c1-18-12-19(2)15-24(31)30(34)27-17-26(25(37-27)11-10-23-14-20(3)16-29(33)36-23)38-28(32)9-5-7-21-6-4-8-22(13-18)35-21/h4-6,9-11,16,18,21-27,29-31,33-34H,2,7-8,12-15,17H2,1,3H3/b9-5-,11-10+/t18-,21-,22-,23+,24-,25-,26-,27+,29?,30-/m0/s1
C30H42O8530.64974400
226018

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C30H42O8/c1-6-18(26(34)35)19(7-2)27(36)38-15-24(33)30(37)11-9-21-20-12-16(3)22-13-17(31)8-10-28(22,4)25(20)23(32)14-29(21,30)5/h8,10,13,16,18-21,23,25,32,37H,6-7,9,11-12,14-15H2,1-5H3,(H,34,35)/t16-,18?,19?,20-,21-,23-,25+,28-,29-,30-/m0/s1
C30H42O8530.64974300
12345

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