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#1;(Z)-SECURIDACASIDE-A;3-O-BETA-D-GLUCOPYRANOSYL-28-O-(ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-ALPHA-

Compound with spectra: 1 NMR

#1;(Z)-SECURIDACASIDE-A;3-O-BETA-D-GLUCOPYRANOSYL-28-O-(ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-ALPHA-
SpectraBase Compound ID 80lFjgKuzMI
InChI InChI=1S/C73H108O33/c1-31-52(100-43(79)17-12-33-10-13-34(93-9)14-11-33)49(85)56(104-62-51(87)55(103-64-57(88)73(92,29-75)30-96-64)53(32(2)97-62)101-60-50(86)54(39(78)28-95-60)102-59-47(83)44(80)38(77)27-94-59)63(98-31)106-66(91)72-22-20-67(3,4)24-36(72)35-15-16-41-68(5)25-37(76)58(105-61-48(84)46(82)45(81)40(26-74)99-61)71(8,65(89)90)42(68)18-19-70(41,7)69(35,6)21-23-72/h10-15,17,31-32,36-42,44-64,74-78,80-88,92H,16,18-30H2,1-9H3,(H,89,90)/b17-12-/t31-,32+,36+,37+,38+,39-,40-,41-,42-,44+,45-,46+,47-,48-,49+,50-,51-,52+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62+,63+,64+,68-,69-,70-,71+,72+,73-/m1/s1
InChIKey MJLVFEURYSNVKA-OIDSEPMVSA-N
Mol Weight 1513.6 g/mol
Molecular Formula C73H108O33
Exact Mass 1512.677286 g/mol
Enantiomer InChIKey MJLVFEURYSNVKA-QIHBDRKJSA-N

View Spectrum of #1;(Z)-SECURIDACASIDE-A;3-O-BETA-D-GLUCOPYRANOSYL-28-O-(ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-ALPHA-

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
#1;(E)-SECURIDACASIDE-A;3-O-BETA-D-GLUCOPYRANOSYL-28-O-(ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-ALPHA-
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
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-
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)
[1R,1(2S,5S,5(2R,3R,5S,5(2S,3R,6R))),5S]-1-[5-[5-[2-ethyl-3-methyl-3-(phenylmethoxy)tetrahydropyran-2-yl]-2-hydroxy-3,5-dimethyltetradrofuran-2-yl]-5-methyltetrahydrofuran-2-yl]-hydroxy-5,7-dimethyl-3-methylene-6-octen-2-one
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
38-(3,5-Dimethylphenyl)-7,8,19,20,28,29,35,36-octahydro-6H,10H,16H,32H,34H-59:17,21-dimethano-11,15-metheno-1,2,5-[1',3']pyrimidino-5H,27H-dibenzo[b,u][1,23,4,8,16,20]dioxatetraazcyclohexacosine-32,37,39-trione
(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
(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-yn-4-one
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
Bisdesmosidic Saponins fromSecuridaca longepedunculataRoots: Evaluation of Deterrency and Toxicity to Coleopteran Storage Pests Journal of Agricultural and Food Chemistry 2009
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