#3;POLYGALASAPONIN-XXX;3-O-BETA-D-GLUCOPYRANOSYL-PRESENEGENIN-28-O-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1
Compound with spectra: 1 NMR
| SpectraBase Compound ID | KyNcmMB3pvZ |
|---|---|
| InChI | InChI=1S/C75H112O36/c1-30-57(107-62-52(90)47(85)40(28-99-62)105-64-53(91)48(86)44(82)37(25-76)102-64)51(89)56(94)63(100-30)109-60-59(108-65-54(92)49(87)45(83)38(26-77)103-65)58(106-43(81)16-11-32-9-12-33(98-8)13-10-32)31(2)101-67(60)111-69(97)74-20-19-70(3,4)23-35(74)34-14-15-41-71(5)24-36(80)61(110-66-55(93)50(88)46(84)39(27-78)104-66)73(7,68(95)96)42(71)17-18-72(41,6)75(34,29-79)22-21-74/h9-14,16,30-31,35-42,44-67,76-80,82-94H,15,17-29H2,1-8H3,(H,95,96)/b16-11+/t30-,31+,35-,36-,37-,38-,39+,40-,41+,42+,44+,45-,46+,47+,48+,49+,50-,51-,52-,53-,54-,55+,56+,57-,58-,59-,60+,61-,62+,63-,64+,65+,66-,67-,71+,72+,73-,74-,75-/m0/s1 |
| InChIKey | BWISCSBGDGATPC-RMFQVLEOSA-N |
| Mol Weight | 1589.7 g/mol |
| Molecular Formula | C75H112O36 |
| Exact Mass | 1588.69333 g/mol |
| Enantiomer InChIKey | BWISCSBGDGATPC-YRAADGCMSA-N |
| 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
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)
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
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
(2R,3R,4S,6E,8R,9S,10S,11R,12R,13R)-1-tert-Butyldimethylsilyloxy-2,4,6,8,10,12-hexamethyl-3-(3,4-dimethoxybenzyloxy)-9,11-isopropylidenedioxy-13-(4-methoxybenzyloxy)-12-methoxymethoxypentacec-6-en-5-one
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,5R,6R,10R,12S,13S,14S,15R)-2-[(2R,5R,6S)-5-benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-2,5-bis(tert-butyldimethylsilyloxy)-13,15-isopropylidenedioxy-6-(4-methoxybenzyloxy)-10,12-dimethylheptadec-7-yn-9-one1-yne
[(3aS,6R,7aR)-Hexahydro-8,8-dimethyl-1-{[(2'R,3S)'-(4"-methoxy-2',3',6'-trimethylphenylsulfonyl)-2'-methylspiro[3H-indle-3,3'-pyrrolidin]-2'-yl}carbonyl-3H,3a,6-methano-2,1-benzisothiazole 2,2-dioxide
tetramethyl (2.alpha.,3.alpha.,6.beta.,8.beta.,10.beta.,12.beta.,15.alpha.,16.alpha.)-19-endo,23-endo,27-exo-9,21-dioxo-7,11,19,23,27,28-hexaoxaundecacyclo[15.7.2.1(2,16),1(4,14).0(1,17).0(3,15).0(5,13).0(6,8).0(10,12).0(18,20).0(22,24)]octacosa-5(13),25-diene-3,15,25,26-tetracarboxylate
(1Z,3R)-1-[(2R*3R,5R,6S)-6-[(1R,2R)-2-Acetoxy-1-ethylbutyl]-2-methoxy-3,5-dimethyltetrahydrofuran-2-yl]-3-[(2R*,5S)-5-[(2R,5R,6S)-5-benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-2-methoxy-5-methyltetrahydrofuran-2-yl]-3-(4-methoxybenzyloxy)prop-1-ene
| Title | Journal or Book | Year |
|---|---|---|
| Five New Triterpene Saponins, Polygalasaponins XXVIII-XXXII from the Root of Polygala japonica HOUTT. | Chemical and Pharmaceutical Bulletin | 1996 |
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.