For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

AESCULIOSIDE-E;#5;21,22-O-DITIGLOYLPROTOAESCIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-METHYL-BETA-D-GLUCURONOPYRANOSATE

Compound with spectra: 1 NMR

AESCULIOSIDE-E;#5;21,22-O-DITIGLOYLPROTOAESCIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-METHYL-BETA-D-GLUCURONOPYRANOSATE
SpectraBase Compound ID 7kQuFiRgwQB
InChI InChI=1S/C59H92O24/c1-12-26(3)48(72)82-46-47(83-49(73)27(4)13-2)59(25-63)29(20-54(46,5)6)28-14-15-33-55(7)18-17-35(56(8,24-62)32(55)16-19-57(33,9)58(28,10)21-34(59)64)78-53-44(80-52-41(70)39(68)37(66)31(23-61)77-52)42(71)43(45(81-53)50(74)75-11)79-51-40(69)38(67)36(65)30(22-60)76-51/h12-14,29-47,51-53,60-71H,15-25H2,1-11H3/b26-12+,27-13+/t29-,30+,31+,32?,33?,34+,35-,36+,37+,38-,39-,40+,41+,42+,43+,44-,45+,46-,47-,51-,52-,53-,55-,56+,57+,58+,59-/m0/s1
InChIKey LFHVPGKXRMSZAI-MYOKMXOUSA-N
Mol Weight 1185.4 g/mol
Molecular Formula C59H92O24
Exact Mass 1184.597854 g/mol
Enantiomer InChIKey LFHVPGKXRMSZAI-NLUDXWRISA-N

View Spectrum of AESCULIOSIDE-E;#5;21,22-O-DITIGLOYLPROTOAESCIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-METHYL-BETA-D-GLUCURONOPYRANOSATE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
AESCULIOSIDE-F;#6;21-O-TIGLOYL-22-O-ANGELOYLPROTOAESCIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-METHYL-BETA-D-GLUCURONOPYRANOSATE
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
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
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
(1Z,3R)-1-[(2R*3R,5R,6S)-6-[(1R,2R)-2-Acetoxy-1-ethylbutyl]-2-methoxy-3,5-dimethyltetrahydrofuran-2-yl]-3-[(2R*,5S)-5-[(2R,5R,6S)-5-benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-2-methoxy-5-methyltetrahydrofuran-2-yl]-3-(4-methoxybenzyloxy)prop-1-ene
Nickel, [ethyl 17-methyl-2,7,12,18-tetraphenyl-22,23,24,25-tetraazapentacyclo[17.2.1.1(3,6).1(8,11).1(13,16)]pentacosa-1,3(25),4,6,8,10,12,14,16(23),18,20-unde caene-17-carboxylato(2-)-N22,N23,N24,N25]-, (SP-4-2)-
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]
(2S,5R,6R,10R,12S,13S,14S,15R)-2-[(2R,5R,6S)-5-benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-2,5-bis(tert-butyldimethylsilyloxy)-13,15-isopropylidenedioxy-6-(4-methoxybenzyloxy)-10,12-dimethylheptadec-7-yn-9-one1-yne
.alpha.-isomer of 1-(1-(1'-(2",3",6",8"-tetramethyl-4",5"-di(2"-methoxycarbonylethyl)-7"-acetylporphinyl)ethoxy)ethyl)-3-(1-(1'-(2",4",5",8"-tetramethyl-3"-acetyl-6",7"-di(2"-methoxycarbonylethyl)porphinyl)ethoxy)ethyl)-2,4,5,8-tetramethyl6,7-di(2-methoxycarbonylethyl)porphine
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]
Title Journal or Book Year
New Saponins from the Seeds of Aesculus chinensis. Chemical and Pharmaceutical Bulletin 1999
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.