28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-[APIOFURANOSYL-(1->3)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER
Compound with spectra: 1 NMR
![28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-[APIOFURANOSYL-(1->3)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/compound/B2HeMNKHv53.png?ph=true&h=300&w=458 "28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-[APIOFURANOSYL-(1->3)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | B2HeMNKHv53 |
|---|---|
| InChI | InChI=1S/C56H90O24/c1-24-39(76-45-37(66)40(29(60)21-72-45)77-44-36(65)34(63)27(58)19-71-44)41(78-48-43(68)55(70,22-57)23-74-48)38(67)46(75-24)79-42-35(64)28(59)20-73-47(42)80-49(69)56-16-15-50(2,3)17-26(56)25-9-10-31-52(6)13-12-32(61)51(4,5)30(52)11-14-53(31,7)54(25,8)18-33(56)62/h9,24,26-48,57-68,70H,10-23H2,1-8H3/t24-,26?,27+,28-,29+,30?,31?,32-,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44-,45-,46-,47-,48-,52-,53+,54+,55+,56+/m0/s1 |
| InChIKey | YWLWIKXBPOFJGS-FJTNHRCMSA-N |
| Mol Weight | 1147.3 g/mol |
| Molecular Formula | C56H90O24 |
| Exact Mass | 1146.582204 g/mol |
| Enantiomer InChIKey | YWLWIKXBPOFJGS-YFJYSDFBSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C5D5N |
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.)]-
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
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
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
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)
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)-
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-
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
(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
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-
| Title | Journal or Book | Year |
|---|---|---|
| Advances in structural elucidation of glucuronide oleanane-type triterpene carboxylic acid 3,28-O-bisdesmosides (1962–1997) | Phytochemistry | 1999 |