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ChemicalBook--->CAS DataBase List--->76948-72-6

76948-72-6

76948-72-6 Structure

76948-72-6 Structure
IdentificationBack Directory
[Name]

cleomiscosin A
[CAS]

76948-72-6
[Synonyms]

NSC 346197
cleomiscosin A
(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
(2R,3R)-rel-2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-9H-pyrano[2,3-f]-1,4-benzodioxin-9-one
9H-Pyrano[2,3-f]-1,4-benzodioxin-9-one,2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-,(2R,3R)-rel-
[Molecular Formula]

C20H18O8
[MDL Number]

MFCD17167052
[MOL File]

76948-72-6.mol
[Molecular Weight]

386.35
Chemical PropertiesBack Directory
[Melting point ]

245-247℃
[Boiling point ]

632.7±55.0 °C(Predicted)
[density ]

1.403
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

Acetonitrile (Slightly, Heated), Methanol (Slightly), Pyridine (Slightly)
[form ]

Solid
[pka]

9.65±0.35(Predicted)
[color ]

White to Off-White
[LogP]

2.161 (est)
Hazard InformationBack Directory
[Uses]

Cleomiscosin A is a known coumarinolignan and an important constituent of the methanolic extract of Hyoscyamus niger seeds (MHN) responsible for anti-inflammatory activity.
[Definition]

ChEBI: An organic heterotricyclic compound that is 2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one substituted by 4-hydroxy-3-methoxy phenyl group at position 3, a hydroxymethyl group at position 2 and a methoxy group at position 5 (the 2R,3R stereoisomer). It exhibits anti-inflammatory activity.
[target]

LDL | TNF-α
Spectrum DetailBack Directory
[Spectrum Detail]

cleomiscosin A(76948-72-6)1HNMR
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