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PITHELUCOSIDE_B;21-O-[6-S-HYDROXY-2-E-HYDROXYMETHYL-6-METHYL-2,7-OCTADIENOYL]-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->

Compound with spectra: 1 NMR

PITHELUCOSIDE_B;21-O-[6-S-HYDROXY-2-E-HYDROXYMETHYL-6-METHYL-2,7-OCTADIENOYL]-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->
SpectraBase Compound ID BCZ0UITUKCR
InChI InChI=1S/C80H128O39/c1-12-76(8,104)19-13-14-33(25-81)65(102)113-45-24-80(73(103)119-72-64(55(96)49(90)38(27-83)111-72)118-70-60(101)62(116-69-59(100)52(93)48(89)37(26-82)109-69)61(32(3)108-70)115-68-57(98)50(91)39(28-84)110-68)35(22-74(45,4)5)34-15-16-42-77(9)20-18-44(75(6,7)41(77)17-21-78(42,10)79(34,11)23-43(80)86)114-67-58(99)53(94)51(92)40(112-67)30-106-71-63(54(95)46(87)31(2)107-71)117-66-56(97)47(88)36(85)29-105-66/h12,14-15,31-32,35-64,66-72,81-101,104H,1,13,16-30H2,2-11H3/b33-14+/t31-,32-,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,53+,54+,55-,56-,57+,58-,59+,60+,61-,62-,63-,64+,66+,67+,68-,69-,70-,71-,72-,76+,77+,78-,79-,80-/m1/s1
InChIKey XWOLPEBCTZRWEQ-RMXTYFAJSA-N
Mol Weight 1713.9 g/mol
Molecular Formula C80H128O39
Exact Mass 1712.803274 g/mol
Enantiomer InChIKey XWOLPEBCTZRWEQ-FVJVIZBGSA-N

View Spectrum of PITHELUCOSIDE_B;21-O-[6-S-HYDROXY-2-E-HYDROXYMETHYL-6-METHYL-2,7-OCTADIENOYL]-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
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
(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
(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
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-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
.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
N-[4-((2-chloro-4-sulfophenyl){3-methyl-4-[(3-sulfobenzyl)amino]phenyl}methylene)-2-methyl-2,5-cyclohexadien-1-ylidene](3-sulfophenyl)methanaminium trihydrogen [(trioxotungstato)(trioxomolybdato)phosphate]
(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
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
Title Journal or Book Year
Cytotoxic Triterpenoid Saponins Acylated with Monoterpenic Acid from Pithecellobium lucidum Journal of Natural Products 2007
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