#2;(E)-SECURIDACASIDE-B;3-O-BETA-D-GLUCOPYRANOSYL-28-O-(ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-ALPHA-
Compound with spectra: 1 NMR
![#2;(E)-SECURIDACASIDE-B;3-O-BETA-D-GLUCOPYRANOSYL-28-O-(ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-ALPHA-](/api/compound/1xi2KPZfRQ2.png?ph=true&h=300&w=458 "#2;(E)-SECURIDACASIDE-B;3-O-BETA-D-GLUCOPYRANOSYL-28-O-(ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-ALPHA-")
| SpectraBase Compound ID | 1xi2KPZfRQ2 |
|---|---|
| InChI | InChI=1S/C75H112O35/c1-31-53(104-44(81)15-12-33-22-39(95-9)56(97-11)40(23-33)96-10)50(87)58(108-64-52(89)57(107-66-59(90)75(94,29-77)30-100-66)54(32(2)101-64)105-62-51(88)55(38(80)28-99-62)106-61-48(85)45(82)37(79)27-98-61)65(102-31)110-68(93)74-20-18-69(3,4)24-35(74)34-13-14-42-70(5)25-36(78)60(109-63-49(86)47(84)46(83)41(26-76)103-63)73(8,67(91)92)43(70)16-17-72(42,7)71(34,6)19-21-74/h12-13,15,22-23,31-32,35-38,41-43,45-55,57-66,76-80,82-90,94H,14,16-21,24-30H2,1-11H3,(H,91,92)/b15-12+/t31-,32+,35+,36+,37+,38-,41-,42-,43-,45+,46-,47+,48-,49-,50+,51-,52-,53+,54+,55+,57+,58-,59+,60+,61+,62+,63+,64+,65+,66+,70-,71-,72-,73+,74+,75-/m1/s1 |
| InChIKey | XPXHHDFAYALTOD-NBXBOXEOSA-N |
| Mol Weight | 1573.7 g/mol |
| Molecular Formula | C75H112O35 |
| Exact Mass | 1572.698415 g/mol |
| Enantiomer InChIKey | XPXHHDFAYALTOD-VSCUPFIYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
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.)]-
2-(2'-acetoxymethyl-3'-(2",3",4"-tri(trimethylsiloxy).alpha.-L-rhamnosyloxy)-4'-(2"-phenyl-2"-trimethylsiloxyethylcarbonyloxy)-5'-(2"-methylpropylcarbonylamino)-1'-oxacycloheh-1'-yloxy)-4,4-di(trimethylsiloxycarbonyl)-8,13-ethano-15-hydroxy-16-methylene-perhydrophenanthrane
tetramethyl (2.alpha.,3.alpha.,6.beta.,8.beta.,10.beta.,12.beta.,15.alpha.,16.alpha.)-19-endo,23-endo,27-exo-9,21-dioxo-7,11,19,23,27,28-hexaoxaundecacyclo[15.7.2.1(2,16),1(4,14).0(1,17).0(3,15).0(5,13).0(6,8).0(10,12).0(18,20).0(22,24)]octacosa-5(13),25-diene-3,15,25,26-tetracarboxylate
5H-1,3-Benzodioxolo[5',4':4,5]cyclohept[1,2-d]isoindole-6,12,13(4H,5a H,6aH)-trione, 3a,7,9a,10,11,14,14a,14b-octahydro-2,2,4,8,9,14b-hexamethyl-10,11-bis (phenylmethyl)-7-[2-(trimethylsilyl)ethoxy]-, [3aR-(3a.alpha.,4.beta.,5a.beta.,6a.beta.,7.alpha.,9a.alpha.,10.alpha.,12aS*,14a.beta.,14b.alpha.)]-
1,1,2',2'-Tetraethyl-1',2',3',8',9',10',11',23',34',35',36',35'a-dodecahydro-14'-20'-38'-41'-tetramethylspiro[piperidine-4,17'-[4,6:13,16:18,21]trietheno[28,32:31,35]dimethano[17H][1,6,16,21]tetraoxacyclotriacontino[25,24-c]pyridinium]Dichloride
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
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
(2S,5R,6R,10R,12S,13S,14S,15R)-2-[(2R,5R,6S)-5-benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-2,5-bis(tert-butyldimethylsilyloxy)-13,15-isopropylidenedioxy-6-(4-methoxybenzyloxy)-10,12-dimethylheptadec-7-yn-9-one1-yne
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-
Nickel, (4,4,5,5,9,9,10,10,14,14,15,15,19,19,20,20,23,24-octadecamethyl-21,26 -dioxa-2,12,27,28,29,30-hexaazahexacyclo[9.9.6.1(1,18).1(3,6).1(8,11).1(13,16)]triaconta-2,6(30),7,12,16(28),17,23-heptaenato(2-)-N27,N28,N29,N30) -, [SP-4-1-(E)]-
| Title | Journal or Book | Year |
|---|---|---|
| Bisdesmosidic Saponins fromSecuridaca longepedunculataRoots: Evaluation of Deterrency and Toxicity to Coleopteran Storage Pests | Journal of Agricultural and Food Chemistry | 2009 |