Account ((1S,7AR)-hexahydro-1H-pyrrolizin-1-yl)methyl 4-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,5-bis(3-methylbut-2-en-1-yl)benzoate
- Catalog No. :
- ACSPEW520
- CAS No. :
- 23179-26-2
- Molecular Formula :
- C36H53NO12
- Molecular Weight :
- 691.82
IUPAC Name:((1S,7aR)-hexahydro-1H-pyrrolizin-1-yl)methyl 4-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,5-bis(3-methylbut-2-en-1-yl)benzoate
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Product Information
| Product Name | ((1S,7AR)-hexahydro-1H-pyrrolizin-1-yl)methyl 4-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,5-bis(3-methylbut-2-en-1-yl)benzoate |
|---|---|
| IUPAC Name | ((1S,7aR)-hexahydro-1H-pyrrolizin-1-yl)methyl 4-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,5-bis(3-methylbut-2-en-1-yl)benzoate |
| Molecular Formula | C36H53NO12 |
| Molecular Weight | 691.82 |
| SMILES | CC(C)=CCC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)C(CC=C(C)C)=CC(C(=O)OC[C@H]2CCN3CCC[C@H]23)=C1 |
| InChI Key | LLZLNFVFAZZRDM-FRQBDSCNSA-N |
| Synonym | Nervosine;Benzoic acid, 4-[(2-O-L-arabinofuranosyl-β-D-glucopyranosyl)oxy]-3,5-bis(3-methyl-2-buten-1-yl)-, [(1R,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl ester |
| CAS No. | 23179-26-2 |
Synthetic Route by SureRoute
2. ACSPEW520 Molecular Building Block Synthetic Route
((7aR)-hexahydro-1H-pyrrolizin-1-yl)methyl 3,5-bis(3-methylbut-2-en-1-yl)-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoate
((1S,7aR)-hexahydro-1H-pyrrolizin-1-yl)methyl 3,5-bis(3-methylbut-2-en-1-yl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoate
4-(((2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6- (hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5-bis(3-methylbut-2-en-1- yl)benzoic acid