| Identification | Back Directory | [Name]
ACETAGASTRODINE | [CAS]
64291-41-4 | [Synonyms]
Acegastrodine
ACETAGASTRODINE
ACETAGASTRODINE USP/EP/BP
4-(Hydroxymethyl)phenyl β-D-glucopyranoside 2,3,4,6-tetraacetate
b-D-Glucopyranoside,4-(hydroxymethyl)phenyl, 2,3,4,6-tetraacetate
β-D-Glucopyranoside, 4-(hydroxymethyl)phenyl, 2,3,4,6-tetraacetate
2,3,4,6-Tetra-O-acetyl-4-(hydroxymethyl)phenyl-b-D-glucopyranoside
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(hydroxymethyl)phenoxy]oxan- 2-yl]methyl acetate
(2R,3R,4S,5R,6S)-2-(AcetoxyMethyl)-6-(4-(hydroxyMethyl)phenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate | [EINECS(EC#)]
200-258-5 | [Molecular Formula]
C21H26O11 | [MDL Number]
MFCD01725344 | [MOL File]
64291-41-4.mol | [Molecular Weight]
454.42 |
| Chemical Properties | Back Directory | [Melting point ]
170-171 °C(Solv: ethanol (64-17-5)) | [Boiling point ]
551.4±50.0 °C(Predicted) | [density ]
1.33±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [form ]
Solid | [pka]
14.42±0.10(Predicted) | [color ]
White to off-white | [InChIKey]
HGUDVDQXCUHOED-YMQHIKHWSA-N | [SMILES]
O(C1=CC=C(CO)C=C1)[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C |
| Hazard Information | Back Directory | [Uses]
Acetagastrodin (compound 4) is an intermediate for the synthesis of DBPG (an antioxidant from Origanum vulgare)[1]. | [References]
[1] Li YW, et, al. First and efficient synthesis of 4-(3,4-dihydroxybenzoyl-oxymethyl)-phenyl-O-β-D-glucopyranoside, an antioxidant from Origanum vulgare. Journal of the Serbian Chemical Society. 2015 Jan; 81(00):74-74. |
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