Account (2S,4aR,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-10-(((2S,3R,4R,5R)-3,4-Dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12
- Catalog No. :
- ACIDBQ701
- CAS No. :
- 65497-07-6
- Molecular Formula :
- C42H66O16
- Molecular Weight :
- 826.97
IUPAC Name:(2S,4aR,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-10-(((2S,3R,4R,5R)-3,4-dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
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Product Information
| Product Name | (2S,4aR,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-10-(((2S,3R,4R,5R)-3,4-Dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12 |
|---|---|
| IUPAC Name | (2S,4aR,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-10-(((2S,3R,4R,5R)-3,4-dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid |
| Molecular Formula | C42H66O16 |
| Molecular Weight | 826.97 |
| SMILES | COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| InChI Key | ZMXKPCHQLHYTHY-OWRBLJEPSA-N |
| Synonym | ESCULENTOSIDE A;Esculentoside;(2b,3b,4a,20b)-3-((4-O-beta-D-Glucopyranosyl-beta-D-xylopyranosyl)oxy)-2,23-dihydroxyolean-12-ene-28,29-dioic acid 29-methyl ester;Phytolaccasaponin E;Esculentoside A, 98%, from Phytolacca acinosa Roxb.;Olean-12-ene-28,29-dioic acid, 3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-2,23-dihydroxy-, 29-methyl ester, (2β,3β,4α,20β)-;Esculentoside A USP/EP/BP;(2S,4aR,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-10-(((2S,3R,4R,5R)-3,4-Dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12 |
| CAS No. | 65497-07-6 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P264-P270-P301+P312-P330-P501
Synthetic Route by SureRoute
2. ACIDBQ701 Molecular Building Block Synthetic Route
(2S,4aR,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-(((2S,3R,4R,5R)-3,4-dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
(2R,4aR,6aS,6bR,9R,10R,11S,12aR,12bR,14bR)-11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-10-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
10-((3,4-dihydroxy-5-((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid