(+-)-(1S*,3R*,4S*,5S*,7S*,8R*,9S*,12R*)-4,5,7-TRICHLOR-3-ETHOXY-12-ISOPROPYL-6,6-DIMETHOXY-9-METHYL-2-OXATETRACYCLO-[6.4.0.0(3,7).0(5,9)]-DODECAN-10-ONE;COMPOU
Compound with spectra: 1 NMR
![(+-)-(1S*,3R*,4S*,5S*,7S*,8R*,9S*,12R*)-4,5,7-TRICHLOR-3-ETHOXY-12-ISOPROPYL-6,6-DIMETHOXY-9-METHYL-2-OXATETRACYCLO-[6.4.0.0(3,7).0(5,9)]-DODECAN-10-ONE;COMPOU](/api/compound/AILokCTqA1J.png?ph=true&h=300&w=458 "(+-)-(1S*,3R*,4S*,5S*,7S*,8R*,9S*,12R*)-4,5,7-TRICHLOR-3-ETHOXY-12-ISOPROPYL-6,6-DIMETHOXY-9-METHYL-2-OXATETRACYCLO-[6.4.0.0(3,7).0(5,9)]-DODECAN-10-ONE;COMPOU")
| SpectraBase Compound ID | AILokCTqA1J |
|---|---|
| InChI | InChI=1S/C19H27Cl3O5/c1-7-26-18-14(20)17(22)15(4)11(23)8-10(9(2)3)12(27-18)13(15)16(18,21)19(17,24-5)25-6/h9-10,12-14H,7-8H2,1-6H3/t10-,12?,13+,14+,15-,16+,17+,18-/m0/s1 |
| InChIKey | BZVZMACKBFGUOV-HPPGQKEHSA-N |
| Mol Weight | 441.78 g/mol |
| Molecular Formula | C19H27Cl3O5 |
| Exact Mass | 440.092407 g/mol |
| Enantiomer InChIKey | BZVZMACKBFGUOV-RBUUERHUSA-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.)]-
Water-dilutable, short-oil alkyd based on dehydrated castor oil (34% triglycerides, 25% phthalic anhydride); 55% solution in an aqueous glycol ether-alcohol mixture, neutralized with dimethylethanolamine
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)
Diethyl 4,4''-{[(1R,2R)-cyclohexane-1,2-diyl]dinitrilo-3,3,3',3'-tetramethyl-4,4'-[(2",3",7",8"-tetrahydro-2",2",3",3",7",7",8',8'-octamethyl-11"H-dipyrrin-1",9"-diylidene)-dinitrilo]-bis[butanoato](1-)cobalt(III)
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-
| Title | Journal or Book | Year |
|---|---|---|
| Versuche zur enantiomerenreinen Synthese des Chatancins, 1. Mitt. Synthese von (1R,2S,6S,7R,8S,3?S)-2-(4?-Benzyloxy-3?-methylbutoyl)-7-hydroxy-8-isopropyl-1-methylbicyclo [4.4.0]decan-4-on | Monatshefte f�r Chemie Chemical Monthly | 1994 |