#1;EPICOLACTONE;(1R*,5S*,9S*,13R*,14R*)-11,14,16-TRIHYDROXY-10,17-DIMETHYL:3,7-DIOXAPENTACYCLO-[11.4.0.0(1,5).0(5,9).0(9,14)]-HEPTADECA-10,16-DIENE-4,12,15-TRI
Compound with spectra: 1 NMR
![#1;EPICOLACTONE;(1R*,5S*,9S*,13R*,14R*)-11,14,16-TRIHYDROXY-10,17-DIMETHYL:3,7-DIOXAPENTACYCLO-[11.4.0.0(1,5).0(5,9).0(9,14)]-HEPTADECA-10,16-DIENE-4,12,15-TRI](/api/compound/BtVCaMWtHMt.png?ph=true&h=300&w=458 "#1;EPICOLACTONE;(1R*,5S*,9S*,13R*,14R*)-11,14,16-TRIHYDROXY-10,17-DIMETHYL:3,7-DIOXAPENTACYCLO-[11.4.0.0(1,5).0(5,9).0(9,14)]-HEPTADECA-10,16-DIENE-4,12,15-TRI")
| SpectraBase Compound ID | BtVCaMWtHMt |
|---|---|
| InChI | InChI=1S/C17H16O8/c1-6-9(19)12(21)17(23)11-10(20)8(18)7(2)15(17)4-24-5-16(15)13(22)25-3-14(6,11)16/h11,18-19,23H,3-5H2,1-2H3/t11-,14+,15+,16-,17+/m0/s1 |
| InChIKey | MDXYLODIRJHEHM-PAZMTAOXSA-N |
| Mol Weight | 348.31 g/mol |
| Molecular Formula | C17H16O8 |
| Exact Mass | 348.084517 g/mol |
| Enantiomer InChIKey | MDXYLODIRJHEHM-UTVHMOSLSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
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
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
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)-
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-
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)
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
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-
6H-Benzo[4,5]cyclodec[1,2-b]oxireno[c]furan-1(13aH)-one, 5,7,10,12-tetrakis(acetyloxy)-2a,5,7,7a,10,11,11a,12-octahydro-11-hydroxy-4,7a,11,13a-tetramethyl-, (2aR*,3Z,5S*,7R*,7aR*,8Z,10S*,11R*,11aR*,12R*,12aS*,13aS*)-
| Title | Journal or Book | Year |
|---|---|---|
| Epicolactone - Natural Product Isolated from the Sugarcane Endophytic Fungus Epicoccum nigrum | European Journal of Organic Chemistry | 2012 |