Account Degalactotigonin
- Catalog No. :
- ACCOIL884
- CAS No. :
- 39941-51-0
- Molecular Formula :
- C50H82O22
- Molecular Weight :
- 1035.18
IUPAC Name:(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5R,6R)-2-(((2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(((2aS,4S,5'R,6aS,6bS,8aS,8bR,9S,10R,11aS,12aS,12bR)-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-5-hydroxy-6-(hydroxymethyl)-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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Product Information
| Product Name | Degalactotigonin |
|---|---|
| IUPAC Name | (2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5R,6R)-2-(((2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(((2aS,4S,5'R,6aS,6bS,8aS,8bR,9S,10R,11aS,12aS,12bR)-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-5-hydroxy-6-(hydroxymethyl)-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
| Molecular Formula | C50H82O22 |
| Molecular Weight | 1035.18 |
| SMILES | O[C@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@@H](CO)O[C@@H](O[C@@H]4C[C@]5([H])CC[C@@]6([H])[C@]7([H])C[C@]8([H])O[C@]9(CC[C@@H](C)CO9)[C@@H](C)[C@]8([H])[C@@]7(C)CC[C@]6([H])[C@@]5(C)CC4)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@H]%10[C@H](O)[C@@H](O)[C@H](O)CO%10)O[C@H](CO)[C@@H](O)[C@@H]1O |
| InChI Key | BJNQXJIQCPPOHN-NUKVSUKUSA-N |
| Synonym | uttronin A;(25R)-3β-[[4-O-[2-O-(β-D-Glucopyranosyl)-3-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]-β-D-galactopyranosyl]oxy]-5α-spirostane;(25R)-3β-[4-O-(2-O-β-D-Glucopyranosyl-3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-β-D-galactopyranosyloxy]-5α-spirostane;[(25R)-5α-Spirostan-3β-yl]4-O-(2-O-β-D-glucopyranosyl-3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-β-D-galactopyranoside;[(25R)-5α-Spirostan-3β-yl]4-O-[2-O-(β-D-glucopyranosyl)-3-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]-β-D-galactopyranoside;beta-Lycotetraosyltigogenin;Degalactotigonin;Dihydroaspidistrin |
| CAS No. | 39941-51-0 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P264-P270-P301+P312-P330-P501
Synthetic Route by SureRoute
2. ACCOIL884 Molecular Building Block Synthetic Route
(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5R,6R)-2-(((2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(((2aS,4R,5R,5'R,6aS,6bS,8aS,8bR,9S,10R,11aS,12aS,12bR)-5-hydroxy-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-5-hydroxy-6-(hydroxymethyl)-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4R,5R,6S)-2-(((2R,3S,4S,5R,6R)-4-Hydroxy-2-(hydroxymethyl)-6-(((2aR,4S,5'S,6aS,6bS,8aS,8bR,9S,10R,11aS,12aS,12bR)-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
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