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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
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.)]-
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
4H-9,12:15,18-Dietheno-28,31-imino-26,23-methenopyrrolo[2,3-n][1,19,6]dioxaazacyclohentriacontine-6,21,24(5H,22H,25H)-trione, 30-ethyl-2-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-8,13,14,19-tetrahydro-3,29,34-trimethyl-, (Z,Z,Z)-
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
Methyl 2.beta.-(2'-(m-isopropyl-phenyl)ethyl)-1.beta.,3.alpha.-dimethyl-cyclohexanecarboxylate (so name and structure in Anderson & Botto) but MS (intense fragement at m/z = 187) and RT suggest 2.alpha.-epimer instead, with Reg. No. 19556-80-0? a methyl seco-dehydro-abietate
4H-1-Benzopyran-4-one, 3-[[O-6-deoxy-4-O-methyl-2,3-O-(1-methylethylidene)-.alpha.-L-mannopyranosyl-(1.fwdarw.4)-O-6-deoxy-2,3-O-(1-methylethylidene)-.alpha.-L-m annopyranosyl-(1.fwdarw.6)-2-O-methyl-3,4-O-(1-methylethylidene)-.beta.-D-galactopyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-
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,1-S,12R,13Z,15R)-2-[(2R,5R,6S)-5-Benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-9-[(R)-1-ethyl-2-oxobutyl]-15-(4-methoxybenzyloxy)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.3.5]pentadec-13-ene
Cobalt, bis(cyano-C)(8,11-diethyl-2,3,3a,7,8,9,10,11,12,16,17,20a-dodecahydro-3a,5,8,9,12,14,17,17-octamethyl-7,12,16,20a-tetrapropyl-10,13-imino-4,20:9,16:18,15-trinitrilo-6H-cyclononadeca[b]furanato-N21,N22,N23,N24)-, stereoisomer
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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