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3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[GLUCOPYRANOSYL-(1->2)-RHAMNOPYRANOSYL-(1->2)-(4-PARA-METHOXY-CINNAMOYL)-FUCOPYRANOSYL
SpectraBase Compound ID IWsBLbBG4aA
InChI InChI=1S/C70H102O31/c1-29-42(76)47(81)55(98-59-50(84)45(79)43(77)35(26-71)93-59)61(91-29)100-57-52(86)53(96-41(75)17-12-31-10-13-32(90-9)14-11-31)30(2)92-62(57)101-64(89)70-23-22-65(3,4)24-34(70)33-15-16-38-66(5)20-19-40(67(6,28-73)37(66)18-21-68(38,7)69(33,8)25-39(70)74)95-63-56(49(83)48(82)54(97-63)58(87)88)99-60-51(85)46(80)44(78)36(27-72)94-60/h10-15,17,28-30,34-40,42-57,59-63,71-72,74,76-86H,16,18-27H2,1-9H3,(H,87,88)/b17-12+/t29-,30+,34?,35+,36+,37?,38?,39+,40-,42-,43+,44-,45-,46-,47+,48-,49-,50+,51+,52-,53-,54-,55+,56+,57+,59-,60-,61-,62-,63+,66-,67-,68+,69+,70+/m0/s1
InChIKey LSMOUWSXOHAEBI-JGUXWURRSA-N
Mol Weight 1439.6 g/mol
Molecular Formula C70H102O31
Exact Mass 1438.640506 g/mol
Enantiomer InChIKey LSMOUWSXOHAEBI-FIDILGGKSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
  • 3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-28-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL]-(1->2)-BETA-D-4-O-TRANS-
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
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
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.)]-
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
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
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
[(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
4H-1-Benzopyran-4-one, 3-[[O-6-deoxy-4-O-methyl-2,3-O-(1-methylethylidene)-.alpha.-L-mannopyranosyl-(1.fwdarw.2)-O-6-deoxy-3,4-di-O-methyl-.alpha.-L-mannopyranos yl-(1.fwdarw.6)-2-O-methyl-3,4-O-(1-methylethylidene)-.beta.-D-galact opyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-
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
Advances in structural elucidation of glucuronide oleanane-type triterpene carboxylic acid 3,28-O-bisdesmosides (1962–1997) Phytochemistry 1999
Acylated triterpene saponins from Silene jenisseensis Phytochemistry 1995
Unknown Identification

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