Account (4aR,6aR,6bS,10R,12aS)-10-(((2S,3R,4S,5R)-3-(((2R,3S,4R,5R,6R)-4-(((2R,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-((((2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
- Catalog No. :
- ACSHIM572
- CAS No. :
- 1415553-83-1
- Molecular Formula :
- C59H96O25
- Molecular Weight :
- 1205.39
IUPAC Name:(4aR,6aR,6bS,10R,12aS)-10-(((2S,3R,4S,5R)-3-(((2R,3S,4R,5R,6R)-4-(((2R,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-((((2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-2,2,6a,6b,9,9,12a-heptamethyl-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 | (4aR,6aR,6bS,10R,12aS)-10-(((2S,3R,4S,5R)-3-(((2R,3S,4R,5R,6R)-4-(((2R,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-((((2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid |
|---|---|
| IUPAC Name | (4aR,6aR,6bS,10R,12aS)-10-(((2S,3R,4S,5R)-3-(((2R,3S,4R,5R,6R)-4-(((2R,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-((((2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-2,2,6a,6b,9,9,12a-heptamethyl-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 | C59H96O25 |
| Molecular Weight | 1205.39 |
| SMILES | C[C@H]1O[C@H](OC[C@@H]2O[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O[C@H]5[C@H](O[C@@H]6CC[C@]7(C)C(CC[C@@]8(C)C7CC=C7C9CC(C)(C)CC[C@@]9(C(=O)O)CC[C@@]78C)C6(C)C)OC[C@@H](O)[C@@H]5O)O[C@H](C)[C@H]4O)O[C@H]3CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O |
| InChI Key | QZULGCOOYJBDJZ-SHELOEASSA-N |
| Synonym | Oleanolic acid - 3-O-α-L-rhamnosyl(1→6)β-D- Galactosyl( 1→3)-β-D-glucosyl( 1→3)-α-L-rhamnosyl(1→2)-α-L-arabinoside;3)-β-D-glucosyl( 1→6)β-D- Galactosyl( 1→Oleanolic acid - 3-O-α-L-rhamnosyl(1→Olean-12-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-, (3β)-;(3β)-3-[(O-6-Deoxy-α-L-mannopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]olean-12-en-28-oic acid;Oleanolic acid - 3-O-α-L-rhamnosyl(1→6)β-D- Galactosyl( 1→3)-β-D-glucosyl( 1→3)-α-L-rhamnosyl(1→2)-α;Pulchinenoside E4 |
| CAS No. | 1415553-83-1 |
Synthetic Route by SureRoute
2. ACSHIM572 Molecular Building Block Synthetic Route
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2S,3R,4S,5S)-5-Hydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
Pulchinenoside E2
(3Β)-3-[(O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]olean-12-en-28-oic acid