#5;[1-S-[1-ALPHA-(4R*,5S*),3-ALPHA,4-BETA,5-ALPHA,6-ALPHA-(2E,4R*,6R*),7-BETA]]-1-[4-ACETYLOXY-5-METHYL-3-METHYLENE-6-PHENYLHEXYL]-4,7-BIS-(ACETYLOXY)-6-HYDROX
Compound with spectra: 1 NMR
![#5;[1-S-[1-ALPHA-(4R*,5S*),3-ALPHA,4-BETA,5-ALPHA,6-ALPHA-(2E,4R*,6R*),7-BETA]]-1-[4-ACETYLOXY-5-METHYL-3-METHYLENE-6-PHENYLHEXYL]-4,7-BIS-(ACETYLOXY)-6-HYDROX](/api/compound/9ymsedQSAGa.png?ph=true&h=300&w=458 "#5;[1-S-[1-ALPHA-(4R*,5S*),3-ALPHA,4-BETA,5-ALPHA,6-ALPHA-(2E,4R*,6R*),7-BETA]]-1-[4-ACETYLOXY-5-METHYL-3-METHYLENE-6-PHENYLHEXYL]-4,7-BIS-(ACETYLOXY)-6-HYDROX")
| SpectraBase Compound ID | 9ymsedQSAGa |
|---|---|
| InChI | InChI=1S/C42H56O16/c1-12-24(2)22-25(3)18-19-32(46)55-35-34(54-29(7)44)40(21-20-26(4)33(53-28(6)43)27(5)23-31-16-14-13-15-17-31)57-36(37(47)50-9)41(38(48)51-10,56-30(8)45)42(35,58-40)39(49)52-11/h13-19,24-25,27,33-36H,4,12,20-23H2,1-3,5-11H3/b19-18+/t24-,25+,27-,33-,34+,35+,36+,40-,41+,42-/m0/s1 |
| InChIKey | ULPBHBNOMFBTHC-YLGDGHHYSA-N |
| Mol Weight | 816.9 g/mol |
| Molecular Formula | C42H56O16 |
| Exact Mass | 816.356836 g/mol |
| Enantiomer InChIKey | ULPBHBNOMFBTHC-HLCSPXNVSA-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
1-(1-(1'-(2",3",6",8"-tetramethyl-4",5"-di(2"-methoxycarbonylethyl)-7"-ethenylporphinyl)ethoxy)ethyl)-3-(1-(1'-(2",4",5",8"-tetramethyl-3"-(1"-hydroxyethyl)-6",7"-di(2"-methoxycarbonylethyl)porphinyl)ethoxy)ethyl)-2,4,5,8-tetramethyl-6,7-di*2-methoxycarbonylethyl)porphine
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
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-
38-(3,5-Dimethylphenyl)-7,8,19,20,28,29,35,36-octahydro-6H,10H,16H,32H,34H-59:17,21-dimethano-11,15-metheno-1,2,5-[1',3']pyrimidino-5H,27H-dibenzo[b,u][1,23,4,8,16,20]dioxatetraazacyclohexacosine-32,37,39-trione
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
(2S,5S,7S,9S,10S,12R,13R*,14R*)-9-[(1S,2R*)-1-Ethyl-2-hydroxybutyl]-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydropyran-2-yl]-15-(4-methoxybenzyloxy)-2,10,12-trimethyl-1,6,8-trioxodispiro[4.1.5.3]pentadecan-13,14-diol
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]
38-(3,5-Dimethylphenyl)-7,8,19,20,28,29,35,36-octahydro-6H,10H,16H,32H,34H-59:17,21-dimethano-11,15-metheno-1,2,5-[1',3']pyrimidino-5H,27H-dibenzo[b,u][1,23,4,8,16,20]dioxatetraazcyclohexacosine-32,37,39-trione
[(3aS,6R,7aR)-Hexahydro-8,8-dimethyl-1-{[(2'R,3S)'-(4"-methoxy-2',3',6'-trimethylphenylsulfonyl)-2'-methylspiro[3H-indle-3,3'-pyrrolidin]-2'-yl}carbonyl-3H,3a,6-methano-2,1-benzisothiazole 2,2-dioxide
| Title | Journal or Book | Year |
|---|---|---|
| The squalestatins, novel inhibitors of squalene synthase produced by a species of Phoma. II. Structure elucidation. | The Journal of Antibiotics | 1992 |