Account Wallicoside
- Catalog No. :
- ACKURM747
- CAS No. :
- 88797-59-5
- Molecular Formula :
- C61H98O26
- Molecular Weight :
- 1247.43
IUPAC Name:(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3-(((2R,4S,5R,6R)-5-(((2S,4S,5R,6R)-5-(((2S,4R,5R,6R)-5-(((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)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-8,14,17-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl (E)-3,4-dimethylpent-2-enoate
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Product Information
| Product Name | Wallicoside |
|---|---|
| IUPAC Name | (3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3-(((2R,4S,5R,6R)-5-(((2S,4S,5R,6R)-5-(((2S,4R,5R,6R)-5-(((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)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-8,14,17-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl (E)-3,4-dimethylpent-2-enoate |
| Molecular Formula | C61H98O26 |
| Molecular Weight | 1247.43 |
| SMILES | O[C@]12[C@](C)([C@H](OC(/C=C(/C(C)C)\C)=O)C[C@]3([C@@]1(O)CC=C4[C@]3(C)CC[C@H](O[C@H]5C[C@H](OC)[C@H](O[C@H]6C[C@H](OC)[C@H](O[C@H]7C[C@@H](OC)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)C4)[H])[C@@](C(C)=O)(O)CC2 |
| InChI Key | PFEUULJHPRIEOH-CTFRSXFOSA-N |
| Synonym | Wallicoside;Pregn-5-en-20-one, 12-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-3-[(O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-8,14,17-trihydroxy-, ... |
| CAS No. | 88797-59-5 |
Synthetic Route by SureRoute
2. ACKURM747 Molecular Building Block Synthetic Route
Qingyangshengenin B
Otophylloside B 4'''-O-beta-D-oleandropyranoside
(3S,8S,9R,10R,12R,13S,14R,17S)-17-Acetyl-8,14,17-trihydroxy-3-(((2R,4S,5R,6R)-5-(((2S,4S,5R,6R)-5-(((2S,4R,5R,6R)-5-(((2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl (E)-3,4-dimethylpent-2-enoate