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VACCAROSIDE-F;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-3-BETA,4-ALPHA,16-ALPHA-TRIHYDROXY-23-NOROLEAN-12-EN-28-OIC-ACID-28-O-

Compound with spectra: 1 NMR

VACCAROSIDE-F;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-3-BETA,4-ALPHA,16-ALPHA-TRIHYDROXY-23-NOROLEAN-12-EN-28-OIC-ACID-28-O-
SpectraBase Compound ID 4wajLCIG1rY
InChI InChI=1S/C65H102O33/c1-23-46(93-53-42(78)35(71)28(69)22-86-53)41(77)45(81)54(87-23)97-51-50(96-55-43(79)37(73)30(21-67)91-55)47(89-25(3)68)24(2)88-58(51)98-59(84)65-17-16-60(4,5)18-27(65)26-10-11-31-61(6)14-13-34(64(9,85)32(61)12-15-62(31,7)63(26,8)19-33(65)70)92-57-49(40(76)39(75)48(94-57)52(82)83)95-56-44(80)38(74)36(72)29(20-66)90-56/h10,23-24,27-51,53-58,66-67,69-81,85H,11-22H2,1-9H3,(H,82,83)/t23-,24+,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+,53+,54-,55-,56-,57+,58-,61+,62+,63+,64-,65+/m0/s1
InChIKey DDFFZNFTWJEAGC-UPDUKNRQSA-N
Mol Weight 1411.5 g/mol
Molecular Formula C65H102O33
Exact Mass 1410.630336 g/mol
Enantiomer InChIKey DDFFZNFTWJEAGC-KBULGTCSSA-N

View Spectrum of VACCAROSIDE-F;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-3-BETA,4-ALPHA,16-ALPHA-TRIHYDROXY-23-NOROLEAN-12-EN-28-OIC-ACID-28-O-

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
[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
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
38-(3,5-Dimethylphenyl)-7,8,19,20,28,29,35,36-octahydro-6H,10H,16H,32H,34H-59:17,21-dimethano-11,15-metheno-1,2,5-[1',3']pyrimidino-5H,27H-dibenzo[b,u][1,23,4,8,16,20]dioxatetraazacyclohexacosine-32,37,39-trione
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
38-(3,5-Dimethylphenyl)-7,8,19,20,28,29,35,36-octahydro-6H,10H,16H,32H,34H-59:17,21-dimethano-11,15-metheno-1,2,5-[1',3']pyrimidino-5H,27H-dibenzo[b,u][1,23,4,8,16,20]dioxatetraazcyclohexacosine-32,37,39-trione
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-
Diethyl 4,4''-{[(1R,2R)-cyclohexane-1,2-diyl]dinitrilo-3,3,3',3'-tetramethyl-4,4'-[(2",3",7",8"-tetrahydro-2",2",3",3",7",7",8',8'-octamethyl-11"H-dipyrrin-1",9"-diylidene)-dinitrilo]-bis[butanoato](1-)cobalt(III)
.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
(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
Title Journal or Book Year
Triterpenoid saponins and sapogenins from Vaccaria segetalis Phytochemistry 1998
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