Account Paeonin
- Catalog No. :
- ACDHXH839
- CAS No. :
- 132-37-6
- Molecular Formula :
- C28H33ClO16
- Molecular Weight :
- 661.01
IUPAC Name:7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,5-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride
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Product Information
| Product Name | Paeonin |
|---|---|
| IUPAC Name | 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,5-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride |
| MDL No. | MFCD00017588 |
| Molecular Formula | C28H33ClO16 |
| Molecular Weight | 661.01 |
| SMILES | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(OC)=C4)=C(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)C=C23)O1.[Cl-] |
| InChI Key | NLSMPWTZYGSAEU-CYUNEVMDSA-N |
| Synonym | PEONIN CHLORIDE(SH);3,5-bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride;paeonin;PEONIDIN-3,5-DIGLUCOSIDE CHLORIDE hplc;(2S,3R,4S,5S,6R)-2-[[7-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1-benzopyrylium-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol chloride;(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride;(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride;PEONIDIN-3-O-ARABINOSIDE CHLORIDE(SH)(NEW) |
| CAS No. | 132-37-6 |
Synthetic Route by SureRoute
2. ACDHXH839 Molecular Building Block Synthetic Route
Malvidin 3,5-di-O-β-glucopyranoside chloride
2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,5-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride
7-Hydroxy-3,5-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)chromenylium chloride