Account (2S,3S,4S,5R,6R)-6-(((2R,3R,4S,5S,6S)-6-Carboxy-2-(((2R,5R,5aR,7aS,7bR,9aR,11S,13aS,13bR,15bS)-2,5a,7a,7b,10,10,13a-heptamethyl-3,14-dioxo-1,2,3,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,13b,14,15b-icosahydro-2,5-methanochryseno[2,1-c]oxepin-11-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACEMPP043
- CAS No. :
- 119417-96-8
- Molecular Formula :
- C42H60O16
- Molecular Weight :
- 820.93
IUPAC Name:(2S,3S,4S,5R,6R)-6-(((2R,3R,4S,5S,6S)-6-carboxy-2-(((2R,5R,5aR,7aS,7bR,9aR,11S,13aS,13bR,15bS)-2,5a,7a,7b,10,10,13a-heptamethyl-3,14-dioxo-1,2,3,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,13b,14,15b-icosahydro-2,5-methanochryseno[2,1-c]oxepin-11-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
![(2S,3S,4S,5R,6R)-6-(((2R,3R,4S,5S,6S)-6-Carboxy-2-(((2R,5R,5aR,7aS,7bR,9aR,11S,13aS,13bR,15bS)-2,5a,7a,7b,10,10,13a-heptamethyl-3,14-dioxo-1,2,3,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,13b,14,15b-icosahydro-2,5-methanochryseno[2,1-c]oxepin-11-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,3S,4S,5R,6R)-6-(((2R,3R,4S,5S,6S)-6-Carboxy-2-(((2R,5R,5aR,7aS,7bR,9aR,11S,13aS,13bR,15bS)-2,5a,7a,7b,10,10,13a-heptamethyl-3,14-dioxo-1,2,3,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,13b,14,15b-icosahydro-2,5-methanochryseno[2,1-c]oxepin-11-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6R)-6-(((2R,3R,4S,5S,6S)-6-carboxy-2-(((2R,5R,5aR,7aS,7bR,9aR,11S,13aS,13bR,15bS)-2,5a,7a,7b,10,10,13a-heptamethyl-3,14-dioxo-1,2,3,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,13b,14,15b-icosahydro-2,5-methanochryseno[2,1-c]oxepin-11-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C42H60O16 |
| Molecular Weight | 820.93 |
| SMILES | O=C([C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O[C@@H](CC[C@]3(C)[C@@]4([H])C(C=C56)=O)C(C)(C)[C@]3([H])CC[C@@]4(C)[C@]5(C)CC[C@@]([C@@]6([H])C[C@]7(C)C8)(C)[C@]8([H])OC7=O)O[C@H](C(O)=O)[C@@H](O)[C@@H]2O)O1)O |
| InChI Key | ACCYCJOHUMRMMV-NHJGESHHSA-N |
| Synonym | Licoricesaponin E2;β-D-Glucopyranosiduronic acid, (3β,20β,22β)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl- |
| CAS No. | 119417-96-8 |
Synthetic Route by SureRoute
2. ACEMPP043 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6S)-5-(((2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-(methoxycarbonyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
(2S,3S,4S,5R,6R)-6-(((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3,4-dihydroxy-5-(((2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-(((2R,3R,4S,5S,6S)-4,5-dihydroxy-6-(methoxycarbonyl)-3-(((2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid