ChemicalBook--->CAS DataBase List--->30557-81-4

30557-81-4

30557-81-4 Structure

30557-81-4 Structure
IdentificationBack Directory
[Name]

(+)-Bisabolangelone
[CAS]

30557-81-4
[Synonyms]

Angelikoreanol
Bisabolangelon
Bisabplangelone
Bisabolangelone
(+)-Angelikoreanol
(+)-Bisabolangelone
4(2H)-Benzofuranone, 3,3a,7,7a-tetrahydro-3-hydroxy-3,6-dimethyl-2-(3-methyl-2-buten-1-ylidene)-, (2Z,3R,3aR,7aS)-
[Molecular Formula]

C15H20O3
[MDL Number]

MFCD14105600
[MOL File]

30557-81-4.mol
[Molecular Weight]

248.32
Chemical PropertiesBack Directory
[Melting point ]

157-158 °C
[Boiling point ]

396.0±42.0 °C(Predicted)
[density ]

1.154±0.06 g/cm3(Predicted)
[storage temp. ]

4°C, protect from light
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

14.54±0.40(Predicted)
[color ]

Off-white to yellow
[InChI]

InChI=1S/C15H20O3/c1-9(2)5-6-13-15(4,17)14-11(16)7-10(3)8-12(14)18-13/h5-7,12,14,17H,8H2,1-4H3/b13-6-/t12-,14+,15-/m0/s1
[InChIKey]

GNWNPLBSEQDDQV-VRBKASCLSA-N
[SMILES]

O1[C@@]2([H])CC(C)=CC(=O)[C@@]2([H])[C@](O)(C)/C/1=C/C=C(/C)\C
Hazard InformationBack Directory
[Uses]

Bisabolangelone, a sesquiterpene derivative, is isolated from the roots of Osterici Radix. Bisabolangelone possesses anti-inflammatory properties, which inhibits LPS-stimulated inflammation through the blocking of NF-kappaB and MAPK pathways in macrophages. Bisabolangelone has anti-ulcer activities[1][2].
[storage]

4°C, protect from light
[References]

[1] Jung HW, et al. Bisabolangelone isolated from Ostericum koreanum inhibits the production of inflammatory mediators by down-regulation of NF-kappaB and ERK MAP kinase activity in LPS-stimulated RAW264.7 cells. Int Immunopharmacol. 2010 Feb;10(2):155-62. DOI:10.1016/j.intimp.2009.10.010
[2] Wang J, et al. The anti-ulcer activities of bisabolangelone from Angelica polymorpha. J Ethnopharmacol. 2009 Jun 22;123(2):343-6. DOI:10.1016/j.jep.2009.02.048
Spectrum DetailBack Directory
[Spectrum Detail]

(+)-Bisabolangelone(30557-81-4)1HNMR
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