Account (2S,3S,4S,5R,6R)-6-(((2S,3R,4S,6aR,6bS,8aS,12aS,14aR,14bR)-4-Carboxy-8a-((((2S,3R,4S,5R,6R)-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-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACDTCV853
- CAS No. :
- 1807732-38-2
- Molecular Formula :
- C53H82O24
- Molecular Weight :
- 1103.21
IUPAC Name:(2S,3S,4S,5R,6R)-6-(((2S,3R,4S,6aR,6bS,8aS,12aS,14aR,14bR)-4-carboxy-8a-((((2S,3R,4S,5R,6R)-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-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | (2S,3S,4S,5R,6R)-6-(((2S,3R,4S,6aR,6bS,8aS,12aS,14aR,14bR)-4-Carboxy-8a-((((2S,3R,4S,5R,6R)-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-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6R)-6-(((2S,3R,4S,6aR,6bS,8aS,12aS,14aR,14bR)-4-carboxy-8a-((((2S,3R,4S,5R,6R)-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-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
| MDL No. | - |
| Molecular Formula | C53H82O24 |
| Molecular Weight | 1103.21 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C(=O)O)C6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](C)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |
| InChI Key | ZGJXPMROEKLPPN-YFEDTKGXSA-N |
| Synonym | CelosinI;Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranuronosyloxy)-2-hydroxy-, 28-(O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-β-D-galactopyranosyl) ester, (2β,3β,4α)-;CelosinI USP/EP/BP |
| CAS No. | 1807732-38-2 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACDTCV853 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6R)-6-(((2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-carboxy-8a-((((2S,3R,4R,5R,6S)-4,5-dihydroxy-3-(((2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4,5-bis(((2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Copteroside G
(2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-((((2S,3R,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-5-acetoxy-3-hydroxy-6-methyl-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4S,5R,6S)-5-(((2S,3R,4S,5R)-3,5-dihydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-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-hydroxy-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid