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#2;3-O-BETA-D-GLUCURONOPYRANOSYL-ECHINOCYSTIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-[3,4-DIACETYL-BETA-D-XYLOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-A

Compound with spectra: 1 NMR

#2;3-O-BETA-D-GLUCURONOPYRANOSYL-ECHINOCYSTIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-[3,4-DIACETYL-BETA-D-XYLOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-A
SpectraBase Compound ID BVqPeHEBIx5
InChI InChI=1S/C61H94O28/c1-24-44(85-51-42(73)45(83-26(3)63)31(23-80-51)82-25(2)62)46(86-50-40(71)36(67)29(64)21-78-50)43(74)53(81-24)88-48-37(68)30(65)22-79-54(48)89-55(77)61-18-17-56(4,5)19-28(61)27-11-12-33-58(8)15-14-35(84-52-41(72)38(69)39(70)47(87-52)49(75)76)57(6,7)32(58)13-16-59(33,9)60(27,10)20-34(61)66/h11,24,28-48,50-54,64-74H,12-23H2,1-10H3,(H,75,76)/t24-,28-,29+,30-,31+,32-,33+,34+,35-,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,48+,50-,51-,52+,53-,54-,58-,59+,60+,61+/m0/s1
InChIKey FCQRZNZKSSIASI-VPBSOJAUSA-N
Mol Weight 1275.4 g/mol
Molecular Formula C61H94O28
Exact Mass 1274.593162 g/mol
Enantiomer InChIKey FCQRZNZKSSIASI-IUMFULGSSA-N

View Spectrum of #2;3-O-BETA-D-GLUCURONOPYRANOSYL-ECHINOCYSTIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-[3,4-DIACETYL-BETA-D-XYLOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-A

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
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,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
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
Diethyl 4,4''-{[(1R,2R)-cyclohexane-1,2-diyl]dinitrilo-3,3,3',3'-tetramethyl-4,4'-[(2",3",7",8"-tetrahydro-2",2",3",3",7",7",8',8'-octamethyl-11"H-dipyrrin-1",9"-diylidene)-dinitrilo]-bis[butanoato](1-)cobalt(III)
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
(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
Spiro[12,15:17,20-dietheno-6H,16H,22H-dibenzo[b,d][1,6,12,22]tetraox acycloheptacosin-16,4'-piperidine]-1,31-dimethanamine, 7,8,9,10,23,24,25,26-octahydro-N,N,N',N',1',13,19,32,35-nonamethyl-, (S)-
Dispiro[piperidine-4,2'-[7,14,24,31]tetraoxapentacyclo[30.2.2.23,6.215,18.220,23]dotetraconta[3,5,15,17,20,22,32,34,35,37,39,41]dodecaen e-19',4''-piperidine], 1,1''-diacetyl-5',33'-dibromo-16',22',36',37',40',41'-hexamethyl-
41,42,43,44,45,46,47,48-Octamethoxynonacyclo[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
6-(tert-Butyldimethylsiloxy)-3,4-(isopropylidenedioxy)-10,11-(di-tert-butylsilylnedioxy)-12,12-(2',2'-dimethylpropane-1',3'-diyldioxy)-2-oxo-1,2,3-(R*),4(R*)),4(S*),5,5a(S*),6(S*),11(R*),11a(R*),12,12a-(S*)-dodecahydronaphthacene
Title Journal or Book Year
Chemical Constituents of Aerial Parts and Roots of <i>Pycnanthemum flexuosum</i> Chemical and Pharmaceutical Bulletin 2014
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