#2A;ENDO-[HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-BUTYLIMIDAZOLE)-[4-BETA-(3-OXO-CYCLOPENTYL)-5-ALPHA,6-ALPHA-ETA(2)-(4H-ANISOLIUM)]]-(O-TF);MAJOR-DIASTEREO
Compound with spectra: 1 NMR
![#2A;ENDO-[HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-BUTYLIMIDAZOLE)-[4-BETA-(3-OXO-CYCLOPENTYL)-5-ALPHA,6-ALPHA-ETA(2)-(4H-ANISOLIUM)]]-(O-TF);MAJOR-DIASTEREO](/api/compound/I3zkMXGIE3n.png?ph=true&h=300&w=458 "#2A;ENDO-[HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-BUTYLIMIDAZOLE)-[4-BETA-(3-OXO-CYCLOPENTYL)-5-ALPHA,6-ALPHA-ETA(2)-(4H-ANISOLIUM)]]-(O-TF);MAJOR-DIASTEREO")
| SpectraBase Compound ID | I3zkMXGIE3n |
|---|---|
| InChI | InChI=1S/C12H13O2.C9H10BN6.C7H12N2.CHF3O3S.CO.Re/c1-14-12-6-3-9(4-7-12)10-2-5-11(13)8-10;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-2-3-5-9-6-4-8-7-9;2-1(3,4)8(5,6)7;1-2;/h3,6,9-10H,2,5,8H2,1H3;1-10H;4,6-7H,2-3,5H2,1H3;(H,5,6,7);;/q+1;-1;;;;+1/p-1/t9-,10+;;;;;/m1...../s1 |
| InChIKey | ZQRHFTTWVJYESF-JGSCXHMSSA-M |
| Mol Weight | 888.7 g/mol |
| Molecular Formula | C30H34BF3N8O6ReS |
| Exact Mass | 889.192469 g/mol |
| Parent InChIKey | OCKGXPCSTPERQO-OTLAMWELSA-M |
| Enantiomer InChIKey | ZQRHFTTWVJYESF-IALSDCLZSA-M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6 |
6H,13H-5,13:6,12-Dietheno-5a,12a-(methaniminomethano)-1H,5H,8H,12H-[1,2,4]triazolo[1,2-a][1,2,4]triazolo[1',2':1,2]pyridazino[4,5-d]pyridazine-18-acetic acid, 2,3,9,10-tetrahydro-.alpha.-(2-methylpropyl)-1,3,8,10,17,19-hexaoxo-2,9-diphenyl-, hexyl ester, stereoisomer
{(4a,5,6,7,7a-.eta.)-4-(2",2"-Dimethyl-1",3"-dioxolan-4"-yl)-3a,5,8,8a-tetrahydro-2,2-dimethyl-4H-indeno[5,6-d]-1,3-dioxol-5-yl}-{(4',5',6',7',7a'-.eta.)-5'-(chloromercurio)-4'-(2"',2"'-dimethyl-1'",3'"-dioxolan-4"'-yl}-3a',5',8',8a'-tetrahydro-2',2'-dimethyl-4H-indeno5,6-d]-1',3'-dioxol-5'-yl}- iron (II)
Methyl 2.beta.-(2'-(m-isopropyl-phenyl)ethyl)-1.beta.,3.alpha.-dimethyl-cyclohexanecarboxylate (so name and structure in Anderson & Botto) but MS (intense fragement at m/z = 187) and RT suggest 2.alpha.-epimer instead, with Reg. No. 19556-80-0? a methyl seco-dehydro-abietate
2-Propenoic acid, 3-phenyl-, 1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-3a,6b-dihydroxy-1,1,5,7-tetramethyl-4-oxo-2a-[[(1-oxo-3-phenyl-2-propenyl)oxy]methyl]-8aH-cyclopropa[5',6']benz[1',2':7,8]az uleno[5,6-b]oxirene-8,8a-diyl ester, [1aR-(1a.alpha.,1b.beta.,1c.beta.,2a.beta.,3a.beta.,6a.alpha.,6b.alpha.,7.alpha.,8.beta.,8a.alpha.)]-
13',16':18',21'-dietheno-1,1''-diethyl-3',14',20',31'-tetramethyldispiro[piperidine-4,17'-[5,12,22,29]tetraoxa[37,40,41]triazatetracyclo[31.13.1.0.(4,45).0(30,35)]heptatetraconta-1',3',13',15',18',20',30',34',35',45'-decaene-47',4''-piperidine]-38',42'-dione
1,6-Dioxaspiro[4.5]decane-7-hexanoic acid, 2-[5-ethyltetrahydro-5-[tetrahydro-3-methyl-5-[tetrahydro-6-(hydroxym ethyl)-3,5-dimethyl-2H-pyran-2-yl]-2-furyl]-2-furyl]-9-hydroxy-.delta.-methoxy-.epsilon.,2,8-trimethyl-, methyl ester, diacetate
Dispiro[piperidine-4,2'-[7,14,24,31]tetraoxapentacyclo[30.2.2.23,6.215,18.220,23]dotetraconta[3,5,15,17,20,22,32,34,35,37,39,41]dodecaen e-19',4''-piperidine], 1,1''-diacetyl-5',33'-dibromo-16',22',36',37',40',41'-hexamethyl-
6H,10H,16H,18H,32H,34H-5,9:17,21-Dimethano-11,15-metheno-1,25[1',3']-pyrimidino-5H,27H-dibenzo[b,u][1,23,4,8,16,20]dioxatetraazacyclohexa cosine-32,37,39-trione, 7,8,19,20,28,29,35,36-octahydro-38-methoxy-13-methyl-
4H-9,12:15,18-Dietheno-28,31-imino-26,23-methenopyrrolo[2,3-n][1,19,6]dioxaazacyclohentriacontine-6,21,24(5H,22H,25H)-trione, 30-ethyl-2-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-8,13,14,19-tetrahydro-3,29,34-trimethyl-, (Z,Z,Z)-
(2S,5S*,7S*,9S,1-S,12R,13Z,15R)-2-[(2R,5R,6S)-5-Benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-9-[(R)-1-ethyl-2-oxobutyl]-15-(4-methoxybenzyloxy)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.3.5]pentadec-13-ene
| Title | Journal or Book | Year |
|---|---|---|
| Solid-State Induced Control of Kinetically Unstable Stereoisomers | Journal of the American Chemical Society | 2003 |