SCABEROSIDE-HD;3-O-BETA-[XYLOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[
Compound with spectra: 1 NMR
![SCABEROSIDE-HD;3-O-BETA-[XYLOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[](/api/compound/GHKJXLRqdbK.png?ph=true&h=300&w=458 "SCABEROSIDE-HD;3-O-BETA-[XYLOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[")
| SpectraBase Compound ID | GHKJXLRqdbK |
|---|---|
| InChI | InChI=1S/C74H118O38/c1-26-39(81)43(85)47(89)64(102-26)107-54-34(79)25-101-67(58(54)111-65-51(93)56(52(27(2)103-65)105-60-44(86)40(82)30(75)21-97-60)109-63-49(91)53(33(78)24-100-63)106-61-45(87)41(83)31(76)22-98-61)112-68(95)74-18-17-69(3,4)19-29(74)28-11-12-36-71(7)15-14-38(70(5,6)35(71)13-16-72(36,8)73(28,9)20-37(74)80)104-66-50(92)55(48(90)57(110-66)59(94)96-10)108-62-46(88)42(84)32(77)23-99-62/h11,26-27,29-58,60-67,75-93H,12-25H2,1-10H3/t26-,27-,29?,30+,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-,56-,57-,58+,60-,61-,62-,63-,64-,65-,66+,67-,71-,72+,73+,74+/m0/s1 |
| InChIKey | RFEONNLNBJGJRM-LNJSUYPGSA-N |
| Mol Weight | 1615.7 g/mol |
| Molecular Formula | C74H118O38 |
| Exact Mass | 1614.730109 g/mol |
| Enantiomer InChIKey | RFEONNLNBJGJRM-CJRSNZAASA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C5D5N |
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.)]-
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
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
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
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
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
{(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)
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 |