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18456-03-6

18456-03-6 Structure

18456-03-6 Structure
IdentificationBack Directory
[Name]

S-Fukinolide
[CAS]

18456-03-6
[Synonyms]

S-Fukinolid
S-Fukinolide
Bakkenolide D
(-)-Bakkenolide D
(1'R,3R,7'aβ)-1'β-Acetoxy-3'aβ,4'β-dimethyl-4-methylene-7'α-[[(2Z)-3-(methylthio)acryloyl]oxy]spiro[oxolane-3,2'-hydrindane]-2-one
2-Propenoic acid, 3-(methylthio)-, (2'R,3'R,3'aR,4'S,7'S,7'aR)-3'-(acetyloxy)decahydro-7',7'a-dimethyl-4-methylene-2-oxospiro[furan-3(2H),2'-[2H]inden]-4'-yl ester, (2Z)-
(Z)-3-Methylthiopropenoic acid [(3R,3'aα)-3'α-acetoxy-4,5,1',3',3'a,4',5',6',7',7'a-decahydro-7'α,7'aα-dimethyl-4-methylene-2-oxospiro[furan-3(2H),2'-[2H]inden]-4'β-yl] ester
[Molecular Formula]

C21H28O6S
[MDL Number]

MFCD32003965
[MOL File]

18456-03-6.mol
[Molecular Weight]

408.51
Chemical PropertiesBack Directory
[Melting point ]

200-201℃
[Boiling point ]

539.1±50.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[solubility ]

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

Powder
[InChIKey]

LWHLMCCRIWZBQO-PDSBHGERSA-N
[SMILES]

C(O[C@H]1CC[C@H](C)[C@]2(C)[C@@]1([H])[C@@H](OC(C)=O)[C@@]1(C2)C(=C)COC1=O)(=O)/C=C\SC
Hazard InformationBack Directory
[Uses]

Bakkenolide D is the main component of bakkenolide in Petasites tricholobus. Bakkenolide has anti-allergic effects and can be used in the study of allergic rhinitis[1].
[target]

IL Receptor | Histamine Receptor
[References]

[1] Zhang FJ, et al. Anti-allergic effects of total bakkenolides from Petasites tricholobus in ovalbumin-sensitized rats. Phytother Res. 2011 Jan;25(1):116-21. DOI:10.1002/ptr.3237
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