DUBIOSIDE-C;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAM
Compound with spectra: 1 NMR
![DUBIOSIDE-C;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAM](/api/compound/RCgJYIjl8E.png?ph=true&h=300&w=458 "DUBIOSIDE-C;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAM")
| SpectraBase Compound ID | RCgJYIjl8E |
|---|---|
| InChI | InChI=1S/C64H100O32/c1-24-46(91-53-45(81)47(29(69)22-86-53)92-52-42(78)35(71)27(67)20-85-52)41(77)44(80)54(88-24)94-49-36(72)28(68)21-87-56(49)96-58(83)64-16-15-59(2,3)17-26(64)25-9-10-32-60(4)13-12-34(61(5,23-66)31(60)11-14-62(32,6)63(25,7)18-33(64)70)90-57-50(40(76)39(75)48(93-57)51(82)84-8)95-55-43(79)38(74)37(73)30(19-65)89-55/h9,23-24,26-50,52-57,65,67-81H,10-22H2,1-8H3/t24-,26?,27-,28-,29-,30+,31?,32?,33+,34-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-,47+,48-,49+,50+,52+,53+,54-,55-,56-,57+,60-,61-,62+,63+,64+/m0/s1 |
| InChIKey | MPCCGOIDFAFBHS-RQKWDFIGSA-N |
| Mol Weight | 1381.5 g/mol |
| Molecular Formula | C64H100O32 |
| Exact Mass | 1380.619771 g/mol |
| Enantiomer InChIKey | MPCCGOIDFAFBHS-SGFSUBBASA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C5D5N |
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,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
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.)]-
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)-
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
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
Nickel, [ethyl 17-methyl-2,7,12,18-tetraphenyl-22,23,24,25-tetraazapentacyclo[17.2.1.1(3,6).1(8,11).1(13,16)]pentacosa-1,3(25),4,6,8,10,12,14,16(23),18,20-unde caene-17-carboxylato(2-)-N22,N23,N24,N25]-, (SP-4-2)-
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-
{(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)
(5b.alpha.,5c.alpha.,8a.alpha.,8b.alpha.)-5c,8c-Dibromo-5b,7,8b-trimethyl-2-(4-methylphenyl)-5,5b,5c,8a,8b,9-hexahydro-1H,6H-pyrrolo[4'',5'':3',4']cyclobuta[1',2':3,4]cyclobuta[1,2-d][1,2,4]triazolo[1,2-a]pyridazine-1,3,6,8(2H,7H)-tetraone
| Title | Journal or Book | Year |
|---|---|---|
| Advances in structural elucidation of glucuronide oleanane-type triterpene carboxylic acid 3,28-O-bisdesmosides (1962–1997) | Phytochemistry | 1999 |