28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-[2-ACETYL-QUINOVOPYRANOSYL-(1->2)]-(3-ACETYL)-FUCOPYRANOSYL]-QUILLAIC-ACID-ESTER
Compound with spectra: 1 NMR
![28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-[2-ACETYL-QUINOVOPYRANOSYL-(1->2)]-(3-ACETYL)-FUCOPYRANOSYL]-QUILLAIC-ACID-ESTER](/api/compound/E8gadkSZlVi.png?ph=true&h=300&w=458 "28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-[2-ACETYL-QUINOVOPYRANOSYL-(1->2)]-(3-ACETYL)-FUCOPYRANOSYL]-QUILLAIC-ACID-ESTER")
| SpectraBase Compound ID | E8gadkSZlVi |
|---|---|
| InChI | InChI=1S/C62H96O27/c1-25-38(70)40(72)48(83-28(4)64)54(80-25)88-50-49(84-29(5)65)46(86-53-43(75)41(73)45(26(2)81-53)85-52-44(76)47(33(67)23-79-52)87-51-42(74)39(71)32(66)22-78-51)27(3)82-55(50)89-56(77)62-19-18-57(6,7)20-31(62)30-12-13-35-58(8)16-15-36(68)59(9,24-63)34(58)14-17-60(35,10)61(30,11)21-37(62)69/h12,24-27,31-55,66-76H,13-23H2,1-11H3/t25-,26+,27-,31?,32+,33+,34?,35?,36+,37-,38-,39-,40+,41+,42+,43-,44+,45+,46+,47-,48-,49+,50-,51-,52-,53+,54+,55+,58+,59+,60-,61-,62-/m1/s1 |
| InChIKey | UPRUDQPYXSSMGF-NIXGGZHSSA-N |
| Mol Weight | 1273.4 g/mol |
| Molecular Formula | C62H96O27 |
| Exact Mass | 1272.613898 g/mol |
| Enantiomer InChIKey | UPRUDQPYXSSMGF-IRFULIJQSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C5D5N |
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
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
4H-1-Benzopyran-4-one, 3-[[O-6-deoxy-4-O-methyl-2,3-O-(1-methylethylidene)-.alpha.-L-mannopyranosyl-(1.fwdarw.4)-O-6-deoxy-2,3-O-(1-methylethylidene)-.alpha.-L-m annopyranosyl-(1.fwdarw.6)-2-O-methyl-3,4-O-(1-methylethylidene)-.beta.-D-galactopyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-
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
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
(2S,5S,7R,9S,10S,12R,13Z,15R)-15-Acetoxy-2-[(2R,5R,6S)-5-ethyl-6-hydroxy-6-methyltetrahydropyran-2-yl]-9-[(R)-1-ethyl-2-oxobutyl]-2,10,12-trimethyl-1,6,8-trioxodispiro[4.1.5.3]pentadec-13-ene
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
{(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)
| Title | Journal or Book | Year |
|---|---|---|
| Advances in structural elucidation of glucuronide oleanane-type triterpene carboxylic acid 3,28-O-bisdesmosides (1962–1997) | Phytochemistry | 1999 |