Account (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
- Catalog No. :
- ACOPBQ736
- CAS No. :
- 1186628-87-4
- Molecular Formula :
- C41H58O14
- Molecular Weight :
- 774.90
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-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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product 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-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 |
|---|---|
| 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-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 |
| Molecular Formula | C41H58O14 |
| Molecular Weight | 774.90 |
| SMILES | CO[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)C4=CC=C(O)C=C4)[C@@]4(C)[C@]5(O)CC[C@@]4(O)C(C)=O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O |
| InChI Key | PTPARCCLWGQACW-VQMDABAESA-N |
| Synonym | Qingyangshengenin 3-O-β-D-cymaropyranosyl-(1→4)-β-D-digitoxopyranoside;Qingyangshengenin3-O-β-D-cymaropyranosyl-(1→4)-β-D-digitoxopyranoside;Pregn-5-en-20-one, 3-[[2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy]-8,14,17-trihydroxy-12-[(4-hydroxybenzoyl)oxy]-, (3β,12β,14β,17α)- |
| CAS No. | 1186628-87-4 |
Synthetic Route by SureRoute
2. ACOPBQ736 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
Qingyangshengenin 3-O-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranosyl-(1→4)-β-D-digitoxopyranoside