(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 |
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
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.)]-
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
{(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)
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-
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.)]-
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
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 |
|---|---|---|
| Cytotoxic Triterpenoid Saponins from Symplocos chinensis | Journal of Natural Products | 2004 |