3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-BETA,3-BETA,16-ALPHA,21-BETA-TETRAHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID
Compound with spectra: 1 NMR
![3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-BETA,3-BETA,16-ALPHA,21-BETA-TETRAHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID](/api/compound/tqSA66q8g.png?ph=true&h=300&w=458 "3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-BETA,3-BETA,16-ALPHA,21-BETA-TETRAHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID")
| SpectraBase Compound ID | tqSA66q8g |
|---|---|
| InChI | InChI=1S/C41H64O17/c1-36(2)11-18-17-7-8-22-37(3)12-19(43)31(58-33-29(50)27(48)30(21(15-42)56-33)57-32-28(49)26(47)20(44)16-55-32)40(6,34(51)52)23(37)9-10-38(22,4)39(17,5)13-25(46)41(18,35(53)54)14-24(36)45/h7,18-33,42-50H,8-16H2,1-6H3,(H,51,52)(H,53,54)/t18?,19-,20-,21+,22?,23?,24-,25+,26+,27+,28-,29+,30+,31-,32+,33-,37+,38+,39+,40-,41+/m0/s1 |
| InChIKey | KIHMNKKUGPSTPI-XKMXFHLHSA-N |
| Mol Weight | 828.9 g/mol |
| Molecular Formula | C41H64O17 |
| Exact Mass | 828.414351 g/mol |
| Enantiomer InChIKey | KIHMNKKUGPSTPI-SUWQEUQSSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C5D5N |
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)
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,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
2,11-(Ethanoxyethano)-13,16:20,23-dietheno-1H-cyclotrideca[3,4]cyclobuta[1,2-i][1,4,7,12]dioxadiazacyclotetradecin e-1,12(12aH)-dione, 3,4,6,7,9,10,12b,17,18,19,23a,23b-dodecahydro-, (12aR*,12bS*,23aR*,23bS*)-
(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
6H-Benzo[4,5]cyclodec[1,2-b]oxireno[c]furan-1(13aH)-one, 5,7,10,12-tetrakis(acetyloxy)-2a,5,7,7a,10,11,11a,12-octahydro-11-hydroxy-4,7a,11,13a-tetramethyl-, (2aR*,3Z,5S*,7R*,7aR*,8Z,10S*,11R*,11aR*,12R*,12aS*,13aS*)-
2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2''''''':5''''''',2'''''''':5'''''''',2''''''''':5''''''''',2'''''''''':5'''''''''',2''''''''''':5''''''''''',2'''''''''''':5'''''''''''',2''''''''''''':5''''''''''''',2'''''''''''''':5'''''''''''''',2'''''''''''''''-Hexadeci-1H-pyrrole, 1,1',1'',1''',1'''',1''''',1'''''',1''''''',1'''''''',1''''''''',1'''''''''',1''''''''''',1'''''''''''',1''''''''''''',1'''''''''''''',1'''''''''''''''-hexadecamethyl-
N-[4-((2-chloro-4-sulfophenyl){3-methyl-4-[(3-sulfobenzyl)amino]phenyl}methylene)-2-methyl-2,5-cyclohexadien-1-ylidene](3-sulfophenyl)methanaminium trihydrogen [(trioxotungstato)(trioxomolybdato)phosphate]
4H,6H,15H,17H-Tetrapyrano[2,3-f:2',3'-f':2'',3''-h:2''',3'''-h']cyclo buta[1,2-c:4,3-c']bis[1]benzopyran-4,17-dione, 10,10a,10b,11,20c,20d-hexahydro-2,6,6,10,10,11,11,15,15,19-decamethyl-, [10aS-(10a.alpha.,10b.beta.,20c.beta.,20d.alpha.)]-
| Title | Journal or Book | Year |
|---|---|---|
| Triterpenoid saponins from the ground part of Aster ageratoides var. ovatus | Phytochemistry | 1999 |