28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER
Compound with spectra: 1 NMR
![28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/compound/LmGoAzM8sYN.png?ph=true&h=300&w=458 "28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | LmGoAzM8sYN |
|---|---|
| InChI | InChI=1S/C62H100O28/c1-24-36(69)39(72)42(75)53(83-24)87-47-31(66)23-82-55(90-56(78)62-17-16-57(3,4)18-27(62)26-10-11-33-59(7)14-13-34(67)58(5,6)32(59)12-15-60(33,8)61(26,9)19-35(62)68)49(47)89-54-44(77)48(45(25(2)84-54)85-50-40(73)37(70)28(63)20-79-50)88-52-43(76)46(30(65)22-81-52)86-51-41(74)38(71)29(64)21-80-51/h10,24-25,27-55,63-77H,11-23H2,1-9H3/t24-,25-,27?,28+,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-,59-,60+,61+,62+/m0/s1 |
| InChIKey | BCHIXOIIDBNCCU-GZDWHNDNSA-N |
| Mol Weight | 1293.5 g/mol |
| Molecular Formula | C62H100O28 |
| Exact Mass | 1292.640113 g/mol |
| Enantiomer InChIKey | BCHIXOIIDBNCCU-NCWSSNGMSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C5D5N |
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
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
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
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
(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
Nickel, (4,4,5,5,9,9,10,10,14,14,15,15,19,19,20,20-hexadecamethyl-21,27-dioxa -2,12,28,29,30,31-hexaazahexacyclo[9.9.7.1(1,18).1(3,6).1(8,11).1(13,16)]hentriaconta-2,6(31),7,12,16(29),17-hexaenato(2-)-N28,N29,N30,N31)-, (SP-4-1)-
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 |