| SpectraBase Spectrum ID |
GUwRA9kOAcB |
| Name |
2,3,4,6-Tetra-O-acetyl-1-O-[(2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoyl]hexopyranose |
| CAS Registry Number |
62561-89-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H38O13 |
| InChI |
InChI=1S/C29H38O13/c1-15(9-10-29(36)16(2)12-21(34)13-28(29,7)8)11-23(35)42-27-26(40-20(6)33)25(39-19(5)32)24(38-18(4)31)22(41-27)14-37-17(3)30/h9-12,22,24-27,36H,13-14H2,1-8H3/b10-9+,15-11+ |
| InChIKey |
GOUHKXITLFXWDL-LVICEBGESA-N |
| Molecular Weight |
594.610 g/mol |
| SMILES |
OC1(C(CC(C=C1C)=O)(C)C)\C=C\C(=C\C(=O)OC1C(C(C(OC(=O)C)C(O1)COC(C)=O)OC(=O)C)OC(=O)C)C |
| SPLASH |
splash10-0006-9610000000-db6e66b8a8606b11ab6b |
| Source of Spectrum |
NP-16-820-0 |
| Synonyms |
(+)-1-Abscisyl-.beta.-d-glucopyranoside tetraacetate
(2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid [3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl] ester
[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] (2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoate
[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl] (2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl)-3-methyl-penta-2,4-dienoate
[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] (2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl)penta-2,4-dienoate |
| Wiley ID |
1113149 |
![2,3,4,6-Tetra-O-acetyl-1-O-[(2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoyl]hexopyranose](/api/spectrum/GUwRA9kOAcB/structure.png?h=300&w=458 "2,3,4,6-Tetra-O-acetyl-1-O-[(2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoyl]hexopyranose")
