(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-10-[(2Z)-3,7-dimethylocta-2,6-dienoyl]oxy-7,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]
Compound with spectra: 1 NMR
![(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-10-[(2Z)-3,7-dimethylocta-2,6-dienoyl]oxy-7,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]](/api/compound/LK2YIXX0Nrq.png?ph=true&h=300&w=458 "(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-10-[(2Z)-3,7-dimethylocta-2,6-dienoyl]oxy-7,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]")
| SpectraBase Compound ID | LK2YIXX0Nrq |
|---|---|
| InChI | InChI=1S/C58H92O19/c1-14-30(5)49(69)77-48-47(74-37(61)24-29(4)17-15-16-28(2)3)53(6,7)25-32-31-18-19-35-55(10)22-21-36(54(8,9)34(55)20-23-56(35,11)57(31,12)45(67)46(68)58(32,48)27-60)73-52-44(41(65)40(64)43(75-52)50(70)71-13)76-51-42(66)39(63)38(62)33(26-59)72-51/h16,18,24,30,32-36,38-48,51-52,59-60,62-68H,14-15,17,19-23,25-27H2,1-13H3/b29-24-/t30?,32-,33+,34?,35+,36-,38+,39-,40-,41-,42+,43-,44+,45-,46+,47-,48-,51-,52+,55-,56+,57-,58-/m0/s1 |
| InChIKey | WUKABEODCYYRKR-FIUFYUBWSA-N |
| Mol Weight | 1093.4 g/mol |
| Molecular Formula | C58H92O19 |
| Exact Mass | 1092.623281 g/mol |
| Enantiomer InChIKey | WUKABEODCYYRKR-DDZNYYEDSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C5D5N |
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
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
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.)]-
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-
(2S,5R,6R,10R,12S,13S,14S,15R)-2-[(2R,5R,6S)-5-benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-2,5-bis(tert-butyldimethylsilyloxy)-13,15-isopropylidenedioxy-6-(4-methoxybenzyloxy)-10,12-dimethylheptadec-7-yn-9-one1-yne
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.)]-
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
| Title | Journal or Book | Year |
|---|---|---|
| Cytotoxic Triterpenoid Saponins from Symplocos chinensis | Journal of Natural Products | 2004 |