SCABEROSIDE-A2;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ESTER
Compound with spectra: 1 NMR
![SCABEROSIDE-A2;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ESTER](/api/compound/7uQUTLLBc0G.png?ph=true&h=300&w=458 "SCABEROSIDE-A2;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | 7uQUTLLBc0G |
|---|---|
| InChI | InChI=1S/C53H84O22/c1-22-39(72-43-36(62)31(57)25(54)20-68-43)35(61)38(64)44(70-22)74-41-32(58)26(55)21-69-46(41)75-47(66)53-17-16-48(2,3)18-24(53)23-10-11-28-50(6)14-13-30(71-45-37(63)33(59)34(60)40(73-45)42(65)67-9)49(4,5)27(50)12-15-51(28,7)52(23,8)19-29(53)56/h10,22,24-41,43-46,54-64H,11-21H2,1-9H3/t22-,24?,25-,26+,27?,28?,29+,30-,31+,32-,33-,34-,35-,36-,37+,38+,39-,40-,41+,43+,44-,45+,46-,50-,51+,52+,53+/m0/s1 |
| InChIKey | CQOWKXHYGFCJHS-WFJJVFDFSA-N |
| Mol Weight | 1073.2 g/mol |
| Molecular Formula | C53H84O22 |
| Exact Mass | 1072.545424 g/mol |
| Enantiomer InChIKey | CQOWKXHYGFCJHS-AQASBAMDSA-N |
| Copyright | Copyright © 2016-2025 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
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.)]-
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)
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
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis[1-[1-[ethenyl-2,18-bis(3-methoxy-3-oxopropyl)-3,17,?,?-tetramethyl-21H,23H-porphinyl]ethoxy]ethyl]-3,8,13,17-tetramethyl-, dimethyl ester
(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-Benzo[4,5]cyclodec[1,2-b]oxireno[c]furan, butanoic acid deriv.
(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
| Title | Journal or Book | Year |
|---|---|---|
| Advances in structural elucidation of glucuronide oleanane-type triterpene carboxylic acid 3,28-O-bisdesmosides (1962–1997) | Phytochemistry | 1999 |