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RUBICUNOSIDE-D;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-BUTYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XY

Compound with spectra: 1 NMR

RUBICUNOSIDE-D;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-BUTYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XY
SpectraBase Compound ID E982NncreCk
InChI InChI=1S/C83H130O42/c1-13-14-23-107-68(105)63-57(103)62(121-70-54(100)48(94)39(89)28-109-70)66(123-73-55(101)50(96)49(95)41(26-84)116-73)76(122-63)117-45-18-19-79(9)42(80(45,10)30-85)17-20-81(11)43(79)16-15-36-37-24-78(7,8)21-22-83(37,44(91)25-82(36,81)12)77(106)125-75-67(124-74-64(114-34(5)86)51(97)46(92)31(2)111-74)65(115-35(6)87)60(33(4)113-75)119-72-56(102)52(98)59(32(3)112-72)118-71-58(104)61(40(90)29-110-71)120-69-53(99)47(93)38(88)27-108-69/h15,30-33,37-67,69-76,84,88-104H,13-14,16-29H2,1-12H3/t31-,32+,33-,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-,65+,66-,67-,69-,70+,71-,72+,73-,74+,75+,76-,79+,80+,81-,82-,83-/m1/s1
InChIKey RPNGSQHDVSTWGG-AIHDFTPMSA-N
Mol Weight 1799.9 g/mol
Molecular Formula C83H130O42
Exact Mass 1798.803668 g/mol
Enantiomer InChIKey RPNGSQHDVSTWGG-UDEOKPOWSA-N

View Spectrum of RUBICUNOSIDE-D;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-BUTYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XY

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
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
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
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
[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
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-
(2S,5S,7S,9S,10S,12R,13Z,15R)-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]pentadec-13-ene
(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
(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
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)-
Title Journal or Book Year
Advances in structural elucidation of glucuronide oleanane-type triterpene carboxylic acid 3,28-O-bisdesmosides (1962–1997) Phytochemistry 1999
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