Account 3,4,5-Trihydroxy-2-((E)-3-(4-hydroxyphenyl)acryloyl)-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)cyclohexa-2,5-dien-1-one
- Catalog No. :
- ACCISU416
- CAS No. :
- 78281-02-4
- Molecular Formula :
- C27H32O16
- Molecular Weight :
- 612.54
IUPAC Name:3,4,5-trihydroxy-2-((E)-3-(4-hydroxyphenyl)acryloyl)-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)cyclohexa-2,5-dien-1-one
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Product Information
| Product Name | 3,4,5-Trihydroxy-2-((E)-3-(4-hydroxyphenyl)acryloyl)-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)cyclohexa-2,5-dien-1-one |
|---|---|
| IUPAC Name | 3,4,5-trihydroxy-2-((E)-3-(4-hydroxyphenyl)acryloyl)-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)cyclohexa-2,5-dien-1-one |
| Molecular Formula | C27H32O16 |
| Molecular Weight | 612.54 |
| SMILES | OC(C(O)=C1C(/C=C/C2=CC=C(O)C=C2)=O)([C@]([C@@H]([C@@H](O)[C@@H]3O)O)([H])O[C@@H]3CO)C(O)=C([C@@H]([C@@H]([C@@H](O)[C@@H]4O)O)O[C@@H]4CO)C1=O |
| InChI Key | LIPJRCGLQNIXGO-ONZBGLOFSA-N |
| Synonym | Hydroxysafflor Yellow A | Safflomin A | 78281-02-4 | HSYA | HI7O919OYZ | 146087-19-6 | (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione | Hydroxy saffl |
| CAS No. | 78281-02-4 |
| PubChem CID | 6443665 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H317-H319
- Precautionary Statement(s)
- P280-P305+P351+P338
Synthetic Route by SureRoute
2. ACCISU416 Molecular Building Block Synthetic Route
Safflor yellow A
(S,Z)-5,6-Dihydroxy-4-((E)-3-(4-hydroxyphenyl)acryloyl)-2-(((S)-2,3,4-trihydroxy-5-((E)-3-(4-hydroxyphenyl)acryloyl)-6-oxo-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)cyclohexa-1,4-dien-1-yl)methylene)-6-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)cyclohex-4-ene-1,3-dione
(E)-4-((2S,3R)-4,7-dihydroxy-5-((E)-3-(4-hydroxyphenyl)acryloyl)-6-oxo-2-((1S,2R,3R)-1,2,3,4-tetrahydroxybutyl)-7-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-2,3,6,7-tetrahydrobenzofuran-3-yl)-2,5-dihydroxy-6-((E)-1-hydroxy-3-(4-hydroxyphenyl)allylidene)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)cyclohex-4-ene-1,3-dione