#9;DPET;(5R,6R,7R,9R,13S,14R,20R)-(5-ALPHA,7-ALPHA)-4,5-EPOXY-6-HYDROXY-3-METHOXY-ALPHA,17-DIMETHYL-ALPHA-(2-PHENYLETHYL)-6,14-ETHENO-MORPHINAN-7-METHAN
Compound with spectra: 1 NMR
| SpectraBase Compound ID | Cbsk44bI5pO |
|---|---|
| InChI | InChI=1S/C30H35NO4/c1-27(32,12-11-19-7-5-4-6-8-19)22-18-28-13-14-30(22,33)26-29(28)15-16-31(2)23(28)17-20-9-10-21(34-3)25(35-26)24(20)29/h4-10,13-14,22-23,26,32-33H,11-12,15-18H2,1-3H3/t22-,23-,26-,27?,28-,29+,30+/m1/s1 |
| InChIKey | ZQWVXXKJRGWLBZ-WYROTTDFSA-N |
| Mol Weight | 473.6 g/mol |
| Molecular Formula | C30H35NO4 |
| Exact Mass | 473.256609 g/mol |
| Enantiomer InChIKey | ZQWVXXKJRGWLBZ-LLCVWLBMSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
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
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
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
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.)]-
{(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)
N-[4-((2-chloro-4-sulfophenyl){3-methyl-4-[(3-sulfobenzyl)amino]phenyl}methylene)-2-methyl-2,5-cyclohexadien-1-ylidene](3-sulfophenyl)methanaminium trihydrogen [(trioxotungstato)(trioxomolybdato)phosphate]
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)-
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-
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-
1,2,3,4,4a,5,6,8,8a,9,10-dodecanhydro-3.alpha.-(tert-butyldimethylsiloxy)-10.alpha.-hydroxy-1.alpha.-[2-(methoxymethoxy)-ethyl]-2.alpha.-((methoxymethoxy)methyl)-4a.beta.,8.alpha.-dimethyl-7H-2.beta.,10a.alpha.-(epoxymethano)phenanthren-7-one
| Title | Journal or Book | Year |
|---|---|---|
| Design and Synthesis of an 18F-Labeled Version of Phenylethyl Orvinol ([18F]FE-PEO) for PET-Imaging of Opioid Receptors | Molecules | 2012 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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