Account Qingyangshengenin 3-O-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranosyl-(1→4)-β-D-digitoxopyranoside
- Catalog No. :
- ACQQED903
- CAS No. :
- 1186628-88-5
- Molecular Formula :
- C48H70O17
- Molecular Weight :
- 919.07
IUPAC Name:(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-(((2R,4S,5S,6R)-4-hydroxy-5-(((2S,4S,5R,6R)-5-(((2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-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 4-hydroxybenzoate
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Product Information
| Product Name | Qingyangshengenin 3-O-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranosyl-(1→4)-β-D-digitoxopyranoside |
|---|---|
| IUPAC Name | (3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-(((2R,4S,5S,6R)-4-hydroxy-5-(((2S,4S,5R,6R)-5-(((2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-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 4-hydroxybenzoate |
| Molecular Formula | C48H70O17 |
| Molecular Weight | 919.07 |
| SMILES | O[C@]12[C@](C)([C@H](OC(=O)C3=CC=C(O)C=C3)C[C@]4([C@@]1(O)CC=C5[C@]4(C)CC[C@H](O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@H](OC)[C@H](O[C@H]8C[C@@H](OC)[C@H](O)[C@@H](C)O8)[C@@H](C)O7)[C@@H](C)O6)C5)[H])[C@@](C(C)=O)(O)CC2 |
| InChI Key | NMHNNGLQZHGFFA-NEDQOVBWSA-N |
| Synonym | Qingyangshengenin 3-O-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranosyl-(1→4)-β-D-digitoxopyranoside;Qingyangshengenin3-O-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranosyl-(1→4)-β-D-digitoxopyranoside;Pregn-5-en-20-one, 3-[(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-β-D-ribo-hexopyranosyl)oxy]-8,14,17-trihydroxy-12-[(4-hydroxybenzoyl)oxy]-, (3β,12β,14β,17α)- |
| CAS No. | 1186628-88-5 |
Synthetic Route by SureRoute
2. ACQQED903 Molecular Building Block Synthetic Route
(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,4R,5S,6S)-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 4-hydroxybenzoate
Otophylloside O
(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-(((2R,4S,5S,6R)-4-hydroxy-5-(((2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-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 4-hydroxybenzoate