Account Petunidin-3-O-(6-O-p-coumaryl)-5-O-diglucoside
- Catalog No. :
- ACBNOD300
- CAS No. :
- 51939-66-3
- Molecular Formula :
- C37H39ClO19
- Molecular Weight :
- 823.15
IUPAC Name:2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-5-(((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 | Petunidin-3-O-(6-O-p-coumaryl)-5-O-diglucoside |
|---|---|
| IUPAC Name | 2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride |
| Molecular Formula | C37H39ClO19 |
| Molecular Weight | 823.15 |
| SMILES | OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1OC2=CC(O)=CC3=C2C=C(C(C4=CC(OC)=C(C(O)=C4)O)=[O+]3)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)COC(C=CC6=CC=C(C=C6)O)=O.[Cl-] |
| InChI Key | OBIYLRZBPFZUQG-MCZACEFTSA-N |
| Synonym | 1-Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-3-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-, chloride (1:1);Petunidin-3-O-(6-O-p-coumaryl)-5-O-diglucoside |
| CAS No. | 51939-66-3 |
Synthetic Route by SureRoute
2. ACBNOD300 Molecular Building Block Synthetic Route
3-(((2S,3R,4S,5S,6R)-6-((((2R,3R,4S,5R,6S)-3,4-Dihydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride
Nasunin
3-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium