Account (S)-4-Hydroxy-3,5,5-trimethyl-4-((R)-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)cyclohex-2-enone
- Catalog No. :
- ACFIJE876
- CAS No. :
- 114226-08-3
- Molecular Formula :
- C19H32O8
- Molecular Weight :
- 388.46
IUPAC Name:(S)-4-hydroxy-3,5,5-trimethyl-4-((R)-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)cyclohex-2-en-1-one
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Product Information
| Product Name | (S)-4-Hydroxy-3,5,5-trimethyl-4-((R)-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)cyclohex-2-enone |
|---|---|
| IUPAC Name | (S)-4-hydroxy-3,5,5-trimethyl-4-((R)-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)cyclohex-2-en-1-one |
| MDL No. | MFCD11975459 |
| Molecular Formula | C19H32O8 |
| Molecular Weight | 388.46 |
| SMILES | C(C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C)[C@]2(O)C(C)(C)CC(=O)C=C2C |
| InChI Key | CZYPGTRKJFYXLT-SUHXYMONSA-N |
| Synonym | Blumenol B 9-O-glucoside;ICARISIDE B5;2-Cyclohexen-1-one, 4-[(3R)-3-(β-D-glucopyranosyloxy)butyl]-4-hydroxy-3,5,5-trimethyl-, (4S)-;Dihydrovomifoliol9-O-B-D-glucopyranoside;Dihydrovomifoliol 9-O-glucoside |
| CAS No. | 114226-08-3 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACFIJE876 Molecular Building Block Synthetic Route
(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
(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
(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