Account (2S,3S,4S,5R,6R)-4-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxy-6-(((3S,4aR,6aR,6bS,8R,8aS,12aR,12bS,14aR,14bR)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACZHUJ663
- CAS No. :
- 65312-86-9
- Molecular Formula :
- C54H88O23
- Molecular Weight :
- 1105.28
IUPAC Name:(2S,3S,4S,5R,6R)-4-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxy-6-(((3S,4aR,6aR,6bS,8R,8aS,12aR,12bS,14aR,14bR)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | (2S,3S,4S,5R,6R)-4-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxy-6-(((3S,4aR,6aR,6bS,8R,8aS,12aR,12bS,14aR,14bR)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6R)-4-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxy-6-(((3S,4aR,6aR,6bS,8R,8aS,12aR,12bS,14aR,14bR)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C54H88O23 |
| Molecular Weight | 1105.28 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]78OC[C@@]9(CCC(C)(C)C[C@H]97)[C@H](O)C[C@@]8(C)[C@]6(C)CC[C@H]5C4(C)C)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| InChI Key | DQUUSJCGJNQFPG-CBMAJASRSA-N |
| Synonym | Primulasaponin 1;Primulasaponin I;Saponin PS 4 from Primula elatior;Primulic acid I;β-D-Glucopyranosiduronic acid, (3β,16α)-13,28-epoxy-16-hydroxyoleanan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-;Primulic acid I-RM |
| CAS No. | 65312-86-9 |
Synthetic Route by SureRoute
2. ACZHUJ663 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6R)-4-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxy-6-(((3S,4aR,6aR,6bS,8R,8aS,12aR,12bS,14aR,14bR)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
Ammonium (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-((2-isopropyl-5-methylcyclohexyl)oxy)tetrahydro-2H-pyran-2-carboxylate
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-((2-isopropyl-5-methylcyclohexyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid