SYMPLOCOSOSIDE_A;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_METHYLESTER]-21-BETA-O-[(2Z-
Compound with spectra: 1 NMR
![SYMPLOCOSOSIDE_A;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_METHYLESTER]-21-BETA-O-[(2Z-](/api/compound/CCKeqruIOg4.png?ph=true&h=300&w=458 "SYMPLOCOSOSIDE_A;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_METHYLESTER]-21-BETA-O-[(2Z-")
| SpectraBase Compound ID | CCKeqruIOg4 |
|---|---|
| InChI | InChI=1S/C63H100O23/c1-14-31(5)53(76)86-52-51(82-39(67)24-30(4)17-15-16-29(2)3)58(6,7)25-33-32-18-19-37-60(10)22-21-38(59(8,9)36(60)20-23-61(37,11)62(32,12)49(74)50(75)63(33,52)28-66)81-57-47(84-56-44(72)42(70)40(68)34(26-64)79-56)45(73)46(48(85-57)54(77)78-13)83-55-43(71)41(69)35(27-65)80-55/h16,18,24,31,33-38,40-52,55-57,64-66,68-75H,14-15,17,19-23,25-28H2,1-13H3/b30-24-/t31?,33-,34+,35+,36?,37+,38-,40+,41+,42-,43-,44+,45-,46-,47+,48-,49-,50+,51-,52-,55+,56-,57+,60-,61+,62-,63-/m0/s1 |
| InChIKey | UIXOAAHDLBYLIC-PWKQKVFQSA-N |
| Mol Weight | 1225.5 g/mol |
| Molecular Formula | C63H100O23 |
| Exact Mass | 1224.665539 g/mol |
| Enantiomer InChIKey | UIXOAAHDLBYLIC-YLHCIUCNSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C5D5N |
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
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
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
Quamoclin II peracetate[(S)-Convolvulinoic acid 11-O.beta,-D-glucopyranosyl-(1-3)-O-[4-O-2(S)-methylbutyryl-.alpha.,L-rhamnopyranosyl-(1-4)]-O-(2-O-n-dodececanoyl).alpha.,L-rhamnopyranosyl-(1-4)-O-.alpha.-L-rhymnopyranosyl[-(1-2)-.beta.D-fucopyranoside peracetate]
Quamoclin I peracetate [(S)-Convolvulinoic acid 11-O.beta,-D-glucopyranosyl-(1-3)-O-[4-O-2(S)-methylbutyryl-.alpha.,L-rhamnopyranosyl-(1-4)]-O-(2-O-n-dodececanoyl).alpha.,L-rhamnopyranosyl-(1-4)-O-.alpha.-L-rhymnopyranosyl[-(1-2)-.beta.D-fucopyranoside peracetate]
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
4H,6H,15H,17H-Tetrapyrano[2,3-f:2',3'-f':2'',3''-h:2''',3'''-h']cyclo buta[1,2-c:4,3-c']bis[1]benzopyran-4,17-dione, 10,10a,10b,11,20c,20d-hexahydro-2,6,6,10,10,11,11,15,15,19-decamethyl-, [10aS-(10a.alpha.,10b.beta.,20c.beta.,20d.alpha.)]-
41,42,43,44,45,46,47,48-Octamethoxynonacyclo[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
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]
Spiro[12,15:17,20-dietheno-6H,16H,22H-dibenzo[b,d][1,6,12,22]tetraox acycloheptacosin-16,4'-piperidine]-1,31-dimethanamine, 7,8,9,10,23,24,25,26-octahydro-N,N,N',N',1',13,19,32,35-nonamethyl-, (S)-
| Title | Journal or Book | Year |
|---|---|---|
| Cytotoxic Triterpenoid Saponins from Symplocos chinensis | Journal of Natural Products | 2004 |