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HERNIARIA-SAPONIN-3;3-O-BETA-GLUCURONOPYRANOSYL-MEDICAGENIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-RHAMNOPYRANOSYL-(1->2)-[GLUCOPYRANOSYL-(1->3)]-(4-ACE

Compound with spectra: 1 NMR

HERNIARIA-SAPONIN-3;3-O-BETA-GLUCURONOPYRANOSYL-MEDICAGENIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-RHAMNOPYRANOSYL-(1->2)-[GLUCOPYRANOSYL-(1->3)]-(4-ACE
SpectraBase Compound ID HMPWCbcrzbr
InChI InChI=1S/C62H96O31/c1-22-32(67)44(88-50-39(74)35(70)33(68)28(20-63)86-50)42(77)53(83-22)91-47-46(90-51-40(75)36(71)34(69)29(21-64)87-51)43(85-24(3)65)23(2)84-54(47)93-56(82)62-16-14-57(4,5)18-26(62)25-10-11-30-58(6)19-27(66)48(92-52-41(76)37(72)38(73)45(89-52)49(78)79)61(9,55(80)81)31(58)12-13-60(30,8)59(25,7)15-17-62/h10,22-23,26-48,50-54,63-64,66-77H,11-21H2,1-9H3,(H,78,79)(H,80,81)/t22-,23+,26?,27-,28+,29+,30?,31?,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,47+,48-,50-,51-,52-,53-,54-,58+,59+,60+,61-,62-/m0/s1
InChIKey UJWCQKVQESVVNY-GVSDFEEOSA-N
Mol Weight 1337.4 g/mol
Molecular Formula C62H96O31
Exact Mass 1336.593556 g/mol
Enantiomer InChIKey UJWCQKVQESVVNY-KTHKSZHDSA-N

View Spectrum of HERNIARIA-SAPONIN-3;3-O-BETA-GLUCURONOPYRANOSYL-MEDICAGENIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-RHAMNOPYRANOSYL-(1->2)-[GLUCOPYRANOSYL-(1->3)]-(4-ACE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
HERNIARI SAPONIN 3 ; 28-O-(beta-D-GLUCOPYRANOSYL(1-3)-alpha-L-RHAMNOPYRANOSYL-(1-2)-(beta-D-GLUCOPYRANOSYL(1-3))-4-ACETYL-beta-D-FUCOPYRANOSYL(1-))-MEDICAGENIC ACID-3-O-beta-D-GLUCURONIDE
HERNIARIA-SAPONIN-3;#3;28-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-4-ACETYL-BETA-D-FUCOPYRANOSYL]-M
{(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,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
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.)]-
Benzo[4,5]cyclodeca[1,2-b]furan-2,11(1H,3aH)-dione, 8,13-bis(acetyloxy)-4-chloro-4,5,8,8a,9,10,12,12a,13,13a-decahydro-13a-hydroxy-1,8a,12-trimethyl-5-methylene-, [1R-(1R*,3aR*,4S*,6Z,8S*,8aS*,12R*,12aS*,13S*,13aR*)]-
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
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-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
Advances in structural elucidation of glucuronide oleanane-type triterpene carboxylic acid 3,28-O-bisdesmosides (1962–1997) Phytochemistry 1999
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