Account (S)-4-hydroxy-3,5,5-trimethyl-4-((R,E)-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one
- Catalog No. :
- ACBKKH664
- CAS No. :
- 54835-70-0
- Molecular Formula :
- C19H30O8
- Molecular Weight :
- 386.44
IUPAC Name:(S)-4-hydroxy-3,5,5-trimethyl-4-((R,E)-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one
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Product Information
| Product Name | (S)-4-hydroxy-3,5,5-trimethyl-4-((R,E)-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one |
|---|---|
| IUPAC Name | (S)-4-hydroxy-3,5,5-trimethyl-4-((R,E)-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one |
| MDL No. | MFCD17214862 |
| Molecular Formula | C19H30O8 |
| Molecular Weight | 386.44 |
| SMILES | CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI Key | SWYRVCGNMNAFEK-MHXFFUGFSA-N |
| Synonym | -Dglucopyranosyloxy)- 1-butenyl]-4-hydroxy-3,5,- 5-triMethyl-,(4S)-;2-Cyclohexen-1-one,4-[(1E,3R)-3-(âRoseoside A;Vomifoliol 9-glucoside;roseoside;(4S)-3-Methyl-4-hydroxy-4-[(1E,3R)-3-(β-D-glucopyranosyloxy)-1-butenyl]-5,5-dimethyl-2-cyclohexene-1-one;(S)-4-[(R,E)-3-(β-D-Glucopyranosyloxy)-1-butenyl]-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one;[(1R,2E)-1-Methyl-3-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexenyl]-2-propenyl]β-D-glucopyranoside |
| CAS No. | 54835-70-0 |
| PubChem CID | 9930064 |
Synthetic Route by SureRoute
2. ACBKKH664 Molecular Building Block Synthetic Route
(S)-4-hydroxy-3,5,5-trimethyl-4-((S,E)-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one
4-(3-((3-((3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
(S)-4-hydroxy-3,5,5-trimethyl-4-((E)-3-oxo-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one