Account (2S,3R,4S,5S)-3-(((2S,3R,4S,5R,6S)-3,4-Dihydroxy-6-methyl-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl (2S,5S,5aR,7aR,7bS,9R,9aR,13aS,15aR,15bR,16R)-9-hydroxy-5-(hydroxymethyl)-7a,7b,12,12,15b-pentamethyl-4-oxo-16-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,5,5a,6,7,7a,7b,8,9,10,11,12,13,13a,15,15a,15b-octadecahydro-2,5-methanochryseno[1,2-d]oxepine-9a(4H)-carboxylate
- Catalog No. :
- ACCIHB656
- CAS No. :
- 917482-69-0
- Molecular Formula :
- C52H80O24
- Molecular Weight :
- 1089.19
IUPAC Name:(2S,3R,4S,5S)-3-(((2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl (2S,5S,5aR,7aR,7bS,9R,9aR,13aS,15aR,15bR,16R)-9-hydroxy-5-(hydroxymethyl)-7a,7b,12,12,15b-pentamethyl-4-oxo-16-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,5,5a,6,7,7a,7b,8,9,10,11,12,13,13a,15,15a,15b-octadecahydro-2,5-methanochryseno[1,2-d]oxepine-9a(4H)-carboxylate
![(2S,3R,4S,5S)-3-(((2S,3R,4S,5R,6S)-3,4-Dihydroxy-6-methyl-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl (2S,5S,5aR,7aR,7bS,9R,9aR,13aS,15aR,15bR,16R)-9-hydroxy-5-(hydroxymethyl)-7a,7b,12,12,15b-pentamethyl-4-oxo-16-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,5,5a,6,7,7a,7b,8,9,10,11,12,13,13a,15,15a,15b-octadecahydro-2,5-methanochryseno[1,2-d]oxepine-9a(4H)-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,3R,4S,5S)-3-(((2S,3R,4S,5R,6S)-3,4-Dihydroxy-6-methyl-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl (2S,5S,5aR,7aR,7bS,9R,9aR,13aS,15aR,15bR,16R)-9-hydroxy-5-(hydroxymethyl)-7a,7b,12,12,15b-pentamethyl-4-oxo-16-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,5,5a,6,7,7a,7b,8,9,10,11,12,13,13a,15,15a,15b-octadecahydro-2,5-methanochryseno[1,2-d]oxepine-9a(4H)-carboxylate |
|---|---|
| IUPAC Name | (2S,3R,4S,5S)-3-(((2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl (2S,5S,5aR,7aR,7bS,9R,9aR,13aS,15aR,15bR,16R)-9-hydroxy-5-(hydroxymethyl)-7a,7b,12,12,15b-pentamethyl-4-oxo-16-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,5,5a,6,7,7a,7b,8,9,10,11,12,13,13a,15,15a,15b-octadecahydro-2,5-methanochryseno[1,2-d]oxepine-9a(4H)-carboxylate |
| MDL No. | MFCD21364040 |
| Molecular Formula | C52H80O24 |
| Molecular Weight | 1089.19 |
| SMILES | O=C([C@@]1(CCC(C)(C)C[C@@]1([H])C2=CC[C@@]34[H])[C@H](O)C[C@@]2(C)[C@]3(C)CC[C@]([C@]5(CO)[C@H]6O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)([H])[C@]4(C)C[C@]6([H])OC5=O)O[C@H]8[C@H](O[C@H]9[C@H](O)[C@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)[C@H](O)CO%10)[C@H](C)O9)[C@@H](O)[C@@H](O)CO8 |
| InChI Key | OPWVFDSVASAJMA-GIYNZGKXSA-N |
| Synonym | Platycoside M3;Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2,16,24-trihydroxy-, γ-lactone, O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (2β,3β,4β,16α)- |
| CAS No. | 917482-69-0 |
Synthetic Route by SureRoute
2. ACCIHB656 Molecular Building Block Synthetic Route
(2S,3R,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-((((2S,3R,4S,5S)-3-(((2S,3R,4S,5S,6S)-4-acetoxy-5-(((2S,3R,4S,5R)-4-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2,8-dihydroxy-4-(hydroxymethyl)-6a,6b,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
(2S,3R,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-((((2S,3R,4S,5S)-3-(((2S,3R,4R,5R,6S)-3-acetoxy-5-(((2S,3R,4S,5R)-4-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2,8-dihydroxy-4-(hydroxymethyl)-6a,6b,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
Platyconic acid A