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ESCIN_IA;21-TIGLOYL-22-ACETYLPROTOAESCIGENIN_3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDURONIC_ACID

Compound with spectra: 2 NMR

ESCIN_IA;21-TIGLOYL-22-ACETYLPROTOAESCIGENIN_3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDURONIC_ACID
SpectraBase Compound ID EjZmbEbSXfE
InChI InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26-,27-,28+,29+,30+,31+,32-,33-,34+,35+,36-,37-,38+,39-,40-,41+,42-,43-,44-,47+,48-,49+,51-,52+,53+,54+,55-/m0/s1
InChIKey AXNVHPCVMSNXNP-FFYWZRPBSA-N
Mol Weight 1131.3 g/mol
Molecular Formula C55H86O24
Exact Mass 1130.550904 g/mol
Enantiomer InChIKey AXNVHPCVMSNXNP-HQOVDAQHSA-N

View Spectrum of ESCIN_IA;21-TIGLOYL-22-ACETYLPROTOAESCIGENIN_3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDURONIC_ACID

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

View Spectrum of ESCIN_IA;21-TIGLOYL-22-ACETYLPROTOAESCIGENIN_3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDURONIC_ACID

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
  • ESCIN-IA
ESCIN-IA
ESCIN_IB;21-ANGELOYL-22-ACETYLPROTOAESCIGENIN_3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDURONIC_ACID
ESCIN-IB
ESCIN-IA
ESCIN-IB
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
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
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
(2S,5S,7S,9S,10S,12R,13R*,14R*)-9-[(1S,2R*)-1-Ethyl-2-hydroxybutyl]-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydropyran-2-yl]-15-(4-methoxybenzyloxy)-2,10,12-trimethyl-1,6,8-trioxodispiro[4.1.5.3]pentadecan-13,14-diol
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]
.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]
(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
(1R,5R,7S,8S,9S,10R)-1-[(2R*,5S)-5-[(2R,5R,6S)-5-benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-2-methoxy-5-methyltetrahydrofuran-2-yl]-9-ethyl-8,10-isopropylidenedioxy-1-(4-methoxybenzyloxy)-5,7-dimethyldodeca-2-en-4-ol
Title Journal or Book Year
Bioactive Saponins and Glycosides. III. Horse Chestnut. (1): The Structures, Inhibitory Effects on Ethanol Absorption, and Hypoglycemic Activity of Escins Ia, Ib, IIa, IIb, and IIIa from the Seeds of Aesculus hippocastanum L. Chemical and Pharmaceutical Bulletin 1996
ESCIN-IA
ESCIN-IA
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