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LUPEROSIDE-K;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->4

Compound with spectra: 1 NMR

LUPEROSIDE-K;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->4
SpectraBase Compound ID 7TV0BDKvKgt
InChI InChI=1S/C71H112O36/c1-25-37(77)42(82)47(87)60(96-25)103-52-38(78)26(2)97-63(55(52)105-61-49(89)44(84)51(27(3)98-61)101-58-45(85)39(79)30(74)22-94-58)107-65(92)71-18-17-66(4,5)19-29(71)28-11-12-34-67(6)15-14-36(68(7,24-73)33(67)13-16-69(34,8)70(28,9)20-35(71)76)100-64-56(106-62-48(88)43(83)41(81)32(21-72)99-62)53(50(90)54(104-64)57(91)93-10)102-59-46(86)40(80)31(75)23-95-59/h11,24-27,29-56,58-64,72,74-90H,12-23H2,1-10H3/t25-,26-,27+,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-,56-,58-,59+,60-,61+,62-,63+,64-,67+,68+,69-,70-,71-/m1/s1
InChIKey RLSHITFRNHXXRP-LGEFQFBFSA-N
Mol Weight 1541.6 g/mol
Molecular Formula C71H112O36
Exact Mass 1540.69333 g/mol
Enantiomer InChIKey RLSHITFRNHXXRP-CPTFBCRKSA-N

View Spectrum of LUPEROSIDE-K;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->4

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
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.)]-
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
{(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)
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
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-
6H-Benzo[4,5]cyclodec[1,2-b]oxireno[c]furan-1(13aH)-one, 5,7,10,12-tetrakis(acetyloxy)-2a,5,7,7a,10,11,11a,12-octahydro-11-hydroxy-4,7a,11,13a-tetramethyl-, (2aR*,3Z,5S*,7R*,7aR*,8Z,10S*,11R*,11aR*,12R*,12aS*,13aS*)-
N-[4-[(2-chlorophenyl)[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohadien-1-ylidene]-N-ethyl-3-sulfobenzenemethanaminium trihydrogen {(trioxotungstato)(trioxomolybdato)phosphate]
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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