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918785-00-9

918785-00-9 Structure

918785-00-9 Structure
IdentificationBack Directory
[Name]

Octanoic acid, (1S,2R)-2-hydroxy-3-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-2-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]ethoxy]-1,2-dimethyl-3-oxopropyl ester
[CAS]

918785-00-9
[Synonyms]

Neohelmanthic B
Neohelmanthic B(95%)
Octanoic acid, (1S,2R)-2-hydroxy-3-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-2-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]ethoxy]-1,2-dimethyl-3-oxopropyl ester
[Molecular Formula]

C29H42O10
[MOL File]

918785-00-9.mol
[Molecular Weight]

550.64
Chemical PropertiesBack Directory
[Boiling point ]

627.3±55.0 °C(Predicted)
[density ]

1.161±0.06 g/cm3(Predicted)
[pka]

11.81±0.29(Predicted)
Hazard InformationBack Directory
[Uses]

Neohelmanthicin B is a phenylpropanoid that can be isolated from Thapsia garganica. Neohelmanthicin B exhibits cytotoxicity against EL4, S180 and MCF7 cell lines with IC50s of 10, 5 and12 μM, respectively[1].
[References]

[1] Liu H, et al. Cytotoxic phenylpropanoids and an additional thapsigargin analogue isolated from Thapsia garganica. Phytochemistry. 2006 Dec;67(24):2651-8. DOI:10.1016/j.phytochem.2006.10.005
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