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HERNIARIA-SAPONIN-D;3-O-BETA-[RHAMNOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-ZANHIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-FUCOPYR

Compound with spectra: 1 NMR

HERNIARIA-SAPONIN-D;3-O-BETA-[RHAMNOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-ZANHIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-FUCOPYR
SpectraBase Compound ID FtCiAm29wt2
InChI InChI=1S/C60H94O29/c1-20-30(63)34(67)39(72)48(80-20)84-42-33(66)23(4)83-52(45(42)87-50-41(74)36(69)32(65)22(3)82-50)89-54(79)60-16-15-55(5,6)17-25(60)24-11-12-27-56(7)18-26(61)46(59(10,53(77)78)28(56)13-14-57(27,8)58(24,9)19-29(60)62)88-51-44(38(71)37(70)43(85-51)47(75)76)86-49-40(73)35(68)31(64)21(2)81-49/h11,20-23,25-46,48-52,61-74H,12-19H2,1-10H3,(H,75,76)(H,77,78)/t20-,21-,22-,23+,25?,26-,27?,28?,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42-,43-,44+,45+,46-,48-,49-,50-,51-,52-,56+,57+,58+,59-,60+/m0/s1
InChIKey QHDDQPQNQVJTGA-ZVSAUEPESA-N
Mol Weight 1279.4 g/mol
Molecular Formula C60H94O29
Exact Mass 1278.588077 g/mol
Enantiomer InChIKey QHDDQPQNQVJTGA-KHYWQHDWSA-N

View Spectrum of HERNIARIA-SAPONIN-D;3-O-BETA-[RHAMNOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-ZANHIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-FUCOPYR

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
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.)]-
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
(2S,5S*,7S*,9S,1-S,12R,13Z,15R)-2-[(2R,5R,6S)-5-Benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-9-[(R)-1-ethyl-2-oxobutyl]-15-(4-methoxybenzyloxy)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.3.5]pentadec-13-ene
{(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-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*)-
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-
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
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
4H,6H,15H,17H-Tetrapyrano[2,3-f:2',3'-f':2'',3''-h:2''',3'''-h']cyclo buta[1,2-c:4,3-c']bis[1]benzopyran-4,17-dione, 10,10a,10b,11,20c,20d-hexahydro-2,6,6,10,10,11,11,15,15,19-decamethyl-, [10aS-(10a.alpha.,10b.beta.,20c.beta.,20d.alpha.)]-
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
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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Unknown Identification

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