(1R,2R,3S,3aR,8bS)-6-[[(2S,3R,6R)-6-[(1R)-1,2-bis[(4-bromobenzoyl)oxy]ethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1-(4-bromobenzoyl)oxy-8b-hydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b]benzofuran-2-carboxylic acid methyl ester
Compound with spectra: 1 NMR
![(1R,2R,3S,3aR,8bS)-6-[[(2S,3R,6R)-6-[(1R)-1,2-bis[(4-bromobenzoyl)oxy]ethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1-(4-bromobenzoyl)oxy-8b-hydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b]benzofuran-2-carboxylic acid methyl ester](/api/compound/1ktWPcFEz5W.png?ph=true&h=300&w=458 "(1R,2R,3S,3aR,8bS)-6-[[(2S,3R,6R)-6-[(1R)-1,2-bis[(4-bromobenzoyl)oxy]ethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1-(4-bromobenzoyl)oxy-8b-hydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b]benzofuran-2-carboxylic acid methyl ester")
| SpectraBase Compound ID | 1ktWPcFEz5W |
|---|---|
| InChI | InChI=1S/C55H47Br3O16/c1-64-38-24-16-34(17-25-38)55-45(30-8-6-5-7-9-30)44(51(62)66-3)47(73-50(61)33-14-22-37(58)23-15-33)54(55,63)46-40(65-2)26-39(27-41(46)74-55)70-53-52(67-4)69-29-43(72-53)42(71-49(60)32-12-20-36(57)21-13-32)28-68-48(59)31-10-18-35(56)19-11-31/h5-27,42-45,47,52-53,63H,28-29H2,1-4H3/t42-,43-,44-,45-,47-,52-,53-,54+,55+/m1/s1 |
| InChIKey | RSEFIOCALCRWRP-RGFNBXIRSA-N |
| Mol Weight | 1203.7 g/mol |
| Molecular Formula | C55H47Br3O16 |
| Exact Mass | 1200.041424 g/mol |
| Enantiomer InChIKey | RSEFIOCALCRWRP-CGUNFLEZSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
2-(2'-acetoxymethyl-3'-(2",3",4"-tri(trimethylsiloxy).alpha.-L-rhamnosyloxy)-4'-(2"-phenyl-2"-trimethylsiloxyethylcarbonyloxy)-5'-(2"-methylpropylcarbonylamino)-1'-oxacycloheh-1'-yloxy)-4,4-di(trimethylsiloxycarbonyl)-8,13-ethano-15-hydroxy-16-methylene-perhydrophenanthrane
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
1,1,2',2'-Tetraethyl-1',2',3',8',9',10',11',23',34',35',36',35'a-dodecahydro-14'-20'-38'-41'-tetramethylspiro[piperidine-4,17'-[4,6:13,16:18,21]trietheno[28,32:31,35]dimethano[17H][1,6,16,21]tetraoxacyclotriacontino[25,24-c]pyridinium]Dichloride
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
5H-1,3-Benzodioxolo[5',4':4,5]cyclohept[1,2-d]isoindole-6,12,13(4H,5a H,6aH)-trione, 3a,7,9a,10,11,14,14a,14b-octahydro-2,2,4,8,9,14b-hexamethyl-10,11-bis (phenylmethyl)-7-[2-(trimethylsilyl)ethoxy]-, [3aR-(3a.alpha.,4.beta.,5a.beta.,6a.beta.,7.alpha.,9a.alpha.,10.alpha.,12aS*,14a.beta.,14b.alpha.)]-
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
41,42,43,44,45,46,47,48-Octamethoxy-4,9,14,19,24,29,34,39-octamethylnonacyclo[35.3.1.1(2,6).1(7,11).1(12,16).1(17,21).1(22,26).1(27,31).1(32,36)]octatetraconta-1(41),2,4,6(48),7,9,11(47),12,14,16(46),17,19,21(45),22,24,26(44),27,29,31(43),32,34,36(42),37,39-tetracosaene
tetramethyl (2.alpha.,3.alpha.,6.beta.,8.beta.,10.beta.,12.beta.,15.alpha.,16.alpha.)-19-endo,23-endo,27-exo-9,21-dioxo-7,11,19,23,27,28-hexaoxaundecacyclo[15.7.2.1(2,16),1(4,14).0(1,17).0(3,15).0(5,13).0(6,8).0(10,12).0(18,20).0(22,24)]octacosa-5(13),25-diene-3,15,25,26-tetracarboxylate
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-
| Title | Journal or Book | Year |
|---|---|---|
| Silvestrol and Episilvestrol, Potential Anticancer Rocaglate Derivatives from Aglaia silvestris | The Journal of Organic Chemistry | 2004 |