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SHIMADOSIDE-A;3-O-BETA-[GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL

Compound with spectra: 2 NMR

SHIMADOSIDE-A;3-O-BETA-[GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL
SpectraBase Compound ID BHJ015lgwJB
InChI InChI=1S/C57H90O26/c1-22-41(79-47-40(70)42(27(60)21-75-47)80-46-37(67)32(62)25(58)19-74-46)36(66)39(69)48(77-22)82-44-33(63)26(59)20-76-50(44)83-51(73)57-16-15-52(2,3)17-24(57)23-9-10-29-54(6)13-12-31(78-49-38(68)34(64)35(65)43(81-49)45(71)72)53(4,5)28(54)11-14-55(29,7)56(23,8)18-30(57)61/h9,22,24-44,46-50,58-70H,10-21H2,1-8H3,(H,71,72)/t22-,24?,25-,26+,27-,28?,29?,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40-,41-,42+,43-,44+,46+,47+,48-,49+,50-,54-,55+,56+,57+/m0/s1
InChIKey BYBNLTUPSXGVAV-NDMFBZEVSA-N
Mol Weight 1191.3 g/mol
Molecular Formula C57H90O26
Exact Mass 1190.572033 g/mol
Enantiomer InChIKey BYBNLTUPSXGVAV-AEYIYXKLSA-N

View Spectrum of SHIMADOSIDE-A;3-O-BETA-[GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL

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

View Spectrum of SHIMADOSIDE-A;3-O-BETA-[GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
  • SHIMADOSIDE-A;3-O-BETA-D-GLUCOPYRANOSIDURONIC-ACID-3-BETA,16-ALPHA-DIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOPYR
#1;LANCEMASIDE-A;3-O-BETA-D-GLUCURONOPYRANOSYL-(3-BETA,16-ALPHA)-DIHYDROXY-OLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)
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
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
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.)]-
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
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
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
Water-dilutable, short-oil alkyd based on dehydrated castor oil (34% triglycerides, 25% phthalic anhydride); 55% solution in an aqueous glycol ether-alcohol mixture, neutralized with dimethylethanolamine
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
Title Journal or Book Year
Advances in structural elucidation of glucuronide oleanane-type triterpene carboxylic acid 3,28-O-bisdesmosides (1962–1997) Phytochemistry 1999
An echinocystic acid saponin derivative from Kalimeris shimadae Phytochemistry 1996
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