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#5;SAPONARIOSIDE-G;3-O-BETA-D-XYLOPYRANOSYL-16-ALPHA-HYDROXY-GYPSOGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1-6)-[BETA-D-GLUCOPYRANOSYL-(1-3)]-BETA-D-GLUCOPYRANOS

Compound with spectra: 1 NMR

#5;SAPONARIOSIDE-G;3-O-BETA-D-XYLOPYRANOSYL-16-ALPHA-HYDROXY-GYPSOGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1-6)-[BETA-D-GLUCOPYRANOSYL-(1-3)]-BETA-D-GLUCOPYRANOS
SpectraBase Compound ID 7ltu6AhPvkv
InChI InChI=1S/C53H84O25/c1-48(2)13-14-53(47(70)78-45-40(67)41(77-44-39(66)36(63)33(60)25(18-55)74-44)34(61)26(75-45)20-72-42-38(65)35(62)32(59)24(17-54)73-42)22(15-48)21-7-8-27-49(3)11-10-30(76-43-37(64)31(58)23(56)19-71-43)52(6,46(68)69)28(49)9-12-50(27,4)51(21,5)16-29(53)57/h7,22-45,54-67H,8-20H2,1-6H3,(H,68,69)/t22?,23-,24-,25-,26-,27?,28?,29-,30+,31+,32-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,45+,49-,50-,51-,52+,53-/m1/s1
InChIKey GAEHQHKGPCGEPQ-ZLEIYOODSA-N
Mol Weight 1121.2 g/mol
Molecular Formula C53H84O25
Exact Mass 1120.530168 g/mol
Enantiomer InChIKey GAEHQHKGPCGEPQ-SPBRVUSKSA-N

View Spectrum of #5;SAPONARIOSIDE-G;3-O-BETA-D-XYLOPYRANOSYL-16-ALPHA-HYDROXY-GYPSOGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1-6)-[BETA-D-GLUCOPYRANOSYL-(1-3)]-BETA-D-GLUCOPYRANOS

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent PYRIDINE-D5
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.)]-
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
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)
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
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
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
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-
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)-
(5b.alpha.,5c.alpha.,8a.alpha.,8b.alpha.)-5c,8c-Dibromo-5b,7,8b-trimethyl-2-(4-methylphenyl)-5,5b,5c,8a,8b,9-hexahydro-1H,6H-pyrrolo[4'',5'':3',4']cyclobuta[1',2':3,4]cyclobuta[1,2-d][1,2,4]triazolo[1,2-a]pyridazine-1,3,6,8(2H,7H)-tetraone
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*)-
Title Journal or Book Year
Saponarioside C, the First α-d-Galactose Containing Triterpenoid Saponin, and Five Related Compounds from Saponaria officinalis Journal of Natural Products 1999
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