(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 |
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
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
Cobalt, bis(cyano-C)(8,11-diethyl-2,3,3a,7,8,9,10,11,12,16,17,20a-dodecahydro-3a,4,8,9,12,14,17,17-octamethyl-7,12,16,20a-tetrapropyl-10,13-imino-4,20:9,16:18,15-trinitrilo-6H-cyclononadeca[b]furan-5(4H)-onato-N21,N22,N23,N24)-, stereoisomer
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-(1.lambda.6,2lambd6,3lambd6,4lambd6,5lambd6,6lambd6,7lambd6,8lambd6,9lambd6,10lambd6,11lambd6,12lambd6-dodecaboranonadecacyclo[5.5.0.01,3.01,4.02,10.02,11.02,12.03,5.03,10.04,6.04,7.05,9.05,10.06,8.06,9.07,12.08,11.08,12.09,11]dodecan-1-yl)-3-phenyl-prop-2-en-1-ol
Cobalt, bis(cyano-C)(8,11-diethyl-2,3,3a,7,8,9,10,11,12,16,17,20a-dodecahydro-3a,5,8,9,12,14,17,17-octamethyl-7,12,16,20a-tetrapropyl-10,13-imino-4,20:9,16:18,15-trinitrilo-6H-cyclononadeca[b]furanato-N21,N22,N23,N24)-, stereoisomer
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
{(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)
| Title | Journal or Book | Year |
|---|---|---|
| Silvestrol and Episilvestrol, Potential Anticancer Rocaglate Derivatives from Aglaia silvestris | The Journal of Organic Chemistry | 2004 |