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4567-33-3

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4567-33-3 Structure

4567-33-3 Structure
IdentificationBack Directory
[Name]

Neocnidilide
[CAS]

4567-33-3
[Synonyms]

(3S,3aR)-(-)-Sedanolide
trans-Sedanolide（ Neocnidilide）
(3S,3aR)-3-Butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone
1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, (3S,3aR)-
[Molecular Formula]

C12H18O2
[MDL Number]

MFCD33029135
[MOL File]

4567-33-3.mol
[Molecular Weight]

194.27
Chemical PropertiesBack Directory
[Melting point ]

33.5-34.5 °C
[Boiling point ]

342.0±11.0 °C(Predicted)
[density ]

1.03
[LogP]

2.912 (est)
Hazard InformationBack Directory
[Uses]

Neocnidilide is an alkylphthalide, which has the activity of inhibiting the growth of mycotoxin-producing fungi. Neocnidilide also has larvicidal activity against D. melanogaster with a LC50 value of 9.9 μmol/mL[1][2].
[Definition]

ChEBI: Neocnidilide is a gamma-lactone.
[References]

[1] Xiao-Zhen Jiao, et al. Study of stereoselective synthesis of (+/-)-neocnidilide. J Asian Nat Prod Res. 2003 Sep;5(3):165-9. DOI:10.1080/1028602031000066870
[2] Toshihiko Tsukamoto, et al. Larvicidal and adulticidal activity of alkylphthalide derivatives from rhizome of Cnidium officinale against Drosophila melanogaster. J Agric Food Chem. 2005 Jul 13;53(14):5549-53. DOI:10.1021/jf050110v
Spectrum DetailBack Directory
[Spectrum Detail]

Neocnidilide(4567-33-3)1HNMR
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