John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1iQNCkDPl6H

(accessed ).

3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-28-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOS

Compound with spectra: 1 NMR

3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-28-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOS
SpectraBase Compound ID 1iQNCkDPl6H
InChI InChI=1S/C60H94O29/c1-22-32(65)38(71)45(86-49-42(75)36(69)34(67)26(19-61)82-49)51(80-22)88-46-39(72)33(66)23(2)81-52(46)89-54(79)60-16-15-55(3,4)17-25(60)24-9-10-29-56(5)13-12-31(57(6,21-63)28(56)11-14-58(29,7)59(24,8)18-30(60)64)84-53-47(41(74)40(73)44(85-53)48(77)78)87-50-43(76)37(70)35(68)27(20-62)83-50/h9,21-23,25-47,49-53,61-62,64-76H,10-20H2,1-8H3,(H,77,78)/t22-,23+,25?,26+,27+,28?,29?,30+,31-,32-,33-,34+,35-,36-,37-,38+,39-,40-,41-,42+,43+,44-,45+,46+,47+,49-,50-,51-,52-,53+,56-,57-,58+,59+,60+/m0/s1
InChIKey JCOQMASYAXEGJU-CDLBMXSTSA-N
Mol Weight 1279.4 g/mol
Molecular Formula C60H94O29
Exact Mass 1278.588078 g/mol
Enantiomer InChIKey JCOQMASYAXEGJU-LRUBDOTOSA-N

View Spectrum of 3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-28-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOS

13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
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
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]
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
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]
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,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
6H-Benzo[4,5]cyclodec[1,2-b]oxireno[c]furan-1(13aH)-one, 5,7,10,12-tetrakis(acetyloxy)-2a,5,7,7a,10,11,11a,12-octahydro-11-hydroxy-4,7a,11,13a-tetramethyl-, (2aR*,3Z,5S*,7R*,7aR*,8Z,10S*,11R*,11aR*,12R*,12aS*,13aS*)-
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
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
Acylated triterpene saponins from Silene jenisseensis Phytochemistry 1995
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