#2;SAPONARIOSIDE-B;3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-QUILLAIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D
Compound with spectra: 1 NMR
![#2;SAPONARIOSIDE-B;3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-QUILLAIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D](/api/compound/Eg9OBT0WMgb.png?ph=true&h=300&w=458 "#2;SAPONARIOSIDE-B;3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-QUILLAIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D")
| SpectraBase Compound ID | Eg9OBT0WMgb |
|---|---|
| InChI | InChI=1S/C77H120O41/c1-26-54(108-29(4)80)44(89)49(94)66(105-26)112-56-28(3)107-69(59(51(56)96)115-67-50(95)45(90)55(27(2)106-67)111-65-53(98)57(34(83)24-104-65)113-63-46(91)40(85)32(81)22-102-63)118-71(101)77-18-17-72(5,6)19-31(77)30-11-12-37-73(7)15-14-39(74(8,25-79)36(73)13-16-75(37,9)76(30,10)20-38(77)84)110-70-60(116-68-48(93)43(88)42(87)35(21-78)109-68)52(97)58(61(117-70)62(99)100)114-64-47(92)41(86)33(82)23-103-64/h11,25-28,31-61,63-70,78,81-98H,12-24H2,1-10H3,(H,99,100)/t26-,27+,28-,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+,59-,60-,61+,63-,64-,65-,66+,67+,68+,69+,70-,73+,74+,75-,76-,77-/m1/s1 |
| InChIKey | CQCMWZXMYOAZSX-GJYWMNTRSA-N |
| Mol Weight | 1701.8 g/mol |
| Molecular Formula | C77H120O41 |
| Exact Mass | 1700.730503 g/mol |
| Enantiomer InChIKey | CQCMWZXMYOAZSX-QPIQGBNISA-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
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)-
{(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-1-Benzopyran-4-one, 3-[[O-6-deoxy-4-O-methyl-2,3-O-(1-methylethylidene)-.alpha.-L-mannopyranosyl-(1.fwdarw.4)-O-6-deoxy-2,3-O-(1-methylethylidene)-.alpha.-L-m annopyranosyl-(1.fwdarw.6)-2-O-methyl-3,4-O-(1-methylethylidene)-.beta.-D-galactopyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-
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
Diethyl 4,4''-{[(1R,2R)-cyclohexane-1,2-diyl]dinitrilo-3,3,3',3'-tetramethyl-4,4'-[(2",3",7",8"-tetrahydro-2",2",3",3",7",7",8',8'-octamethyl-11"H-dipyrrin-1",9"-diylidene)-dinitrilo]-bis[butanoato](1-)cobalt(III)
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
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-
| Title | Journal or Book | Year |
|---|---|---|
| Major Triterpenoid Saponins from Saponaria officinalis | Journal of Natural Products | 1998 |