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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

Compound with spectra: 2 NMR

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

View Spectrum of 3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[GLUCOPYRANOSYL-(1->2)-RHAMNOPYRANOSYL-(1->2)-(4-PARA-METHOXY-CINNAMOYL)-FUCOPYRANOSYL

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N

View Spectrum of 3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[GLUCOPYRANOSYL-(1->2)-RHAMNOPYRANOSYL-(1->2)-(4-PARA-METHOXY-CINNAMOYL)-FUCOPYRANOSYL

13C NMR Spectrum
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-
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-CIS-PA
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
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.)]-
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
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
4H-9,12:15,18-Dietheno-28,31-imino-26,23-methenopyrrolo[2,3-n][1,19,6]dioxaazacyclohentriacontine-6,21,24(5H,22H,25H)-trione, 30-ethyl-2-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-8,13,14,19-tetrahydro-3,29,34-trimethyl-, (Z,Z,Z)-
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
{(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)
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-
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.)]-
Cobalt, bis(cyano-C)(8,11-diethyl-2,3,3a,7,8,9,10,11,12,16,17,20a-dodecahydro-3a,5,8,9,12,14,17,17-octamethyl-7,12,16,20a-tetrapropyl-10,13-imino-4,20:9,16:18,15-trinitrilo-6H-cyclononadeca[b]furanato-N21,N22,N23,N24)-, stereoisomer
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
Other Resources
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