ACUTANGULOSIDE-F-METHYLESTER;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-METHYLGLUCURONOPYRANOSYL-21,22-O-TIGLOYL
Compound with spectra: 1 NMR
![ACUTANGULOSIDE-F-METHYLESTER;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-METHYLGLUCURONOPYRANOSYL-21,22-O-TIGLOYL](/api/compound/8xixL6rheTB.png?ph=true&h=300&w=458 "ACUTANGULOSIDE-F-METHYLESTER;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-METHYLGLUCURONOPYRANOSYL-21,22-O-TIGLOYL")
| SpectraBase Compound ID | 8xixL6rheTB |
|---|---|
| InChI | InChI=1S/C58H90O22/c1-13-26(3)47(69)79-45-46(80-48(70)27(4)14-2)58(25-60)29(21-53(45,5)6)28-15-16-33-55(9)19-18-35(54(7,8)32(55)17-20-56(33,10)57(28,11)22-34(58)62)75-52-44(78-51-40(67)38(65)37(64)31(23-59)74-51)42(41(68)43(77-52)49(71)72-12)76-50-39(66)36(63)30(61)24-73-50/h13-15,29-46,50-52,59-68H,16-25H2,1-12H3/b26-13-,27-14-/t29-,30-,31+,32-,33?,34+,35-,36+,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,50+,51-,52-,55-,56+,57+,58-/m0/s1 |
| InChIKey | HQRCIZLNVNAKMY-ZAMJYBESSA-N |
| Mol Weight | 1139.3 g/mol |
| Molecular Formula | C58H90O22 |
| Exact Mass | 1138.592375 g/mol |
| Enantiomer InChIKey | HQRCIZLNVNAKMY-TVLIKKNUSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
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
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.)]-
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
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-
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)-
(1a.alpha.,3a.alpha.,4.beta.,5a.alpha.6.alpha.,8.beta.,8a.alpha.,8b.beta.,10.alpha.,10a.beta.,10b.beta.,10c.alpha.)-4-[(1,1-Dimethylethyl)dimethylsiloxy]tetradecahydro-10-[(2-methoxyethoxy)methoxy]-8-(methoxymethoxy)-6,8b-dimethyl-1H-naphth[2',1',8':3,4,5]azuleno[1.8-bc]furan-3(1aH)-one
{(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)
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
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)
| Title | Journal or Book | Year |
|---|---|---|
| Acutangulosides A−F, Monodesmosidic Saponins from the Bark of Barringtonia acutangula | Journal of Natural Products | 2005 |