Griselinoside

Base Information

• Chemical Name: Griselinoside
• CAS No.: 71035-06-8
• Molecular Formula: C18H24O12
• Molecular Weight: 432.376
• DSSTox Substance ID: DTXSID10991339
• Wikidata: Q72480868

Synonyms:Griselinoside;71035-06-8;dimethyl (1R,4aR,7R,7aR)-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4,7-dicarboxylate;Cyclopenta(c)pyran-4,7-dicarboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-oxo-, dimethyl ester, (1S-(1alpha,4aalpha,7alpha,7aalpha))-;DTXSID10991339;Dimethyl 1-(hexopyranosyloxy)-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate

Chemical Property of Griselinoside

Chemical Property:

• Vapor Pressure: 1.77E-19mmHg at 25°C
• Boiling Point: 647.1°Cat760mmHg
• PKA: 12.79±0.70(Predicted)
• Flash Point: 228.9°C
• PSA: 178.28000
• Density: 1.55g/cm³
• LogP: -2.78950
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 432.12677620
• Heavy Atom Count: 30
• Complexity: 720

Purity/Quality:

98%min ^*data from raw suppliers

Griselinoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CC(=O)C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O
• Isomeric SMILES: COC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]1[C@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

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