ChemicalBook--->CAS DataBase List--->174972-80-6

174972-80-6

174972-80-6 Structure

174972-80-6 Structure
IdentificationBack Directory
[Name]

3-Carboxy-3-hydroxy-1,5-dioxo-1,5-pentanediylbis(oxymethylene-4,1-phenylene) bis-beta-D-glucopyranoside
[CAS]

174972-80-6
[Synonyms]

Citrate C
Parishin C
β-D-Glucopyranoside, 3-carboxy-3-hydroxy-1,5-dioxo-1,5-pentanediylbis(oxymethylene-4,1-phenylene) bis-
3-Carboxy-3-hydroxy-1,5-dioxo-1,5-pentanediylbis(oxymethylene-4,1-phenylene) bis-beta-D-glucopyranoside
[Molecular Formula]

C32H40O19
[MDL Number]

MFCD29059903
[MOL File]

174972-80-6.mol
[Molecular Weight]

728.65
Chemical PropertiesBack Directory
[Boiling point ]

1052.0±65.0 °C(Predicted)
[density ]

1.600
[storage temp. ]

2-8°C
[solubility ]

DMF: 20 mg/ml; DMSO: 25 mg/ml; Ethanol: 20 mg/ml; PBS (pH 7.2): 10 mg/ml
[form ]

A crystalline solid
[pka]

2.95±0.28(Predicted)
[color ]

White to off-white
[InChIKey]

PMVCHAWVCIWVLP-KDSCYBBXSA-N
[SMILES]

O=C(OCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1)CC(O)(C(O)=O)CC(OCC3=CC=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=C3)=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

White powder, soluble in methanol, ethanol, DMSO and other organic solvents.
[Uses]

Parishin C is a natural Gastrodia elata active component which may be useful in treating dementia.
Spectrum DetailBack Directory
[Spectrum Detail]

Parishin C(174972-80-6)1HNMR
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