ChemicalBook--->CAS DataBase List--->94596-28-8

94596-28-8

94596-28-8 Structure

94596-28-8 Structure
IdentificationBack Directory
[Name]

Senkyunolide I
[CAS]

94596-28-8
[Synonyms]

Senkyunolide I
Senkyunolide I DISCONTINUED PLEASE SEE S213255
(6α,7β)-3-[(Z)-Butylidene]-4,5,6,7-tetrahydro-6,7-dihydroxy-1(3H)-isobenzofuranone
(3Z,6R,7R)-rel-3-Butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-1(3H)-isobenzofuranone
1(3H)-Isobenzofuranone,3-butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-, (3Z,6R,7R)-rel-
[Molecular Formula]

C12H16O4
[MDL Number]

MFCD20527301
[MOL File]

94596-28-8.mol
[Molecular Weight]

224.25
Chemical PropertiesBack Directory
[Boiling point ]

444.8±45.0 °C(Predicted)
[density ]

1.28
[storage temp. ]

4°C, protect from light
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

Powder
[pka]

12.78±0.40(Predicted)
[color ]

Off-white to light yellow
[Major Application]

food and beverages
pharmaceutical
[InChI]

InChI=1/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/b9-4-/t8-,11+/s3
[InChIKey]

DQNGMIQSXNGHOA-ZVSTVYJJNA-N
[SMILES]

C1(=O)C2=C(CC[C@@H](O)[C@@H]2O)/C(=C/CCC)/O1 |&1:6,8,r|
Hazard InformationBack Directory
[Chemical Properties]

A slightly yellow oily substance, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from the rhizome of Chuanxiong.
[Uses]

Senkyunolide I is a bioactive phthalide isolated from the root and stem exteriors of Angelica sinensis. An anti-migraine compound.
[target]

ERK | Nrf2 | HO-1 | Bcl-2/Bax | Caspase | 5-HT Receptor | NO
Spectrum DetailBack Directory
[Spectrum Detail]

Senkyunolide I(94596-28-8)1HNMR
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