Account Jionoside B1
- Catalog No. :
- ACEXCL780
- CAS No. :
- 120406-37-3
- Molecular Formula :
- C37H50O20
- Molecular Weight :
- 814.79
IUPAC Name:(2R,3R,4R,5R,6R)-5-hydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-2-((((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
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Product Information
| Product Name | Jionoside B1 |
|---|---|
| IUPAC Name | (2R,3R,4R,5R,6R)-5-hydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-2-((((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate |
| MDL No. | - |
| Molecular Formula | C37H50O20 |
| Molecular Weight | 814.79 |
| SMILES | O=C(O[C@@H]1[C@@H](CO[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)O[C@@H](OCCC3=CC=C(OC)C(O)=C3)[C@H](O)[C@H]1O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)/C=C/C5=CC=C(O)C(OC)=C5 |
| InChI Key | FXFHFOSEURHWMO-AQHLZYGVSA-N |
| Synonym | Jionoside B1;b-D-Glucopyranoside,2-(3-hydroxy-4-methoxyphenyl)ethyl O-6-deoxy-a-L-mannopyranosyl-(13)-O-[b-D-galactopyranosyl-(16)]-, 4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate];β-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→6)]-, 4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate] |
| CAS No. | 120406-37-3 |
| PubChem CID | 5281782 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACEXCL780 Molecular Building Block Synthetic Route
(2R,3R,4R,5R,6R)-5-hydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-((((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
(2R,3R,4R,5R,6R)-5-hydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-2-(hydroxymethyl)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
cis-Martynoside