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G1;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-R

Compound with spectra: 1 NMR

G1;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-R
SpectraBase Compound ID Am5OcF2IIeH
InChI InChI=1S/C70H110O37/c1-24-36(77)43(84)54(105-61-49(90)52(103-59-46(87)41(82)39(80)30(19-71)98-59)50(25(2)97-61)101-57-44(85)37(78)28(74)21-94-57)62(96-24)107-64(93)70-16-15-65(3,4)17-27(70)26-9-10-33-66(5)13-12-35(67(6,23-73)32(66)11-14-68(33,7)69(26,8)18-34(70)76)100-63-55(106-60-47(88)42(83)40(81)31(20-72)99-60)51(48(89)53(104-63)56(91)92)102-58-45(86)38(79)29(75)22-95-58/h9,23-25,27-55,57-63,71-72,74-90H,10-22H2,1-8H3,(H,91,92)/t24-,25+,27?,28-,29-,30+,31-,32?,33?,34-,35+,36+,37+,38+,39+,40+,41-,42+,43+,44-,45-,46+,47-,48+,49-,50+,51+,52+,53+,54-,55-,57+,58+,59-,60+,61+,62+,63-,66+,67+,68-,69-,70-/m1/s1
InChIKey HAPPGDFGYCCFSV-WNHORDJUSA-N
Mol Weight 1543.6 g/mol
Molecular Formula C70H110O37
Exact Mass 1542.672594 g/mol
Enantiomer InChIKey HAPPGDFGYCCFSV-LMYIVZGJSA-N

View Spectrum of G1;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-R

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
RP-68996;3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-QUILLAIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->3
3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-QUILLAIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-XYLOPYRANOSY
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)-
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.)]-
{(4a,5,6,7,7a-.eta.)-4-(2",2"-Dimethyl-1",3"-dioxolan-4"-yl)-3a,5,8,8a-tetrahydro-2,2-dimethyl-4H-indeno[5,6-d]-1,3-dioxol-5-yl}-{(4',5',6',7',7a'-.eta.)-5'-(chloromercurio)-4'-(2"',2"'-dimethyl-1'",3'"-dioxolan-4"'-yl}-3a',5',8',8a'-tetrahydro-2',2'-dimethyl-4H-indeno5,6-d]-1',3'-dioxol-5'-yl}- iron (II)
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
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
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[(2.alpha.,5.beta.,6.alpha.,7.beta.,18 .beta.)-3,4-didehydro-18-(methoxycarbonyl)-C-noribogamin-7-yl]-3-hydr oxy-16-methoxy-1-methyl-, methyl ester, (2.beta.,3.beta.,4.beta.,5.alpha.,12.beta.,19.alpha.)-
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-
6H,10H,16H,18H,32H,34H-5,9:17,21-Dimethano-11,15-metheno-1,25[1',3']-pyrimidino-5H,27H-dibenzo[b,u][1,23,4,8,16,20]dioxatetraazacyclohexa cosine-32,37,39-trione, 7,8,19,20,28,29,35,36-octahydro-38-methoxy-13-methyl-
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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