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63306-30-9

63306-30-9 Structure

63306-30-9 Structure
IdentificationBack Directory
[Name]

bruceoside A
[CAS]

63306-30-9
[Synonyms]

bruceoside A
13,20-Epoxy-2-(β-D-glucopyranosyloxy)-11β,12α-dihydroxy-15β-[(3-methyl-1-oxo-2-butenyl)oxy]-3,16-dioxopicras-1-en-21-oic acid methyl ester
Picras-1-en-21-oic acid, 13,20-epoxy-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3,16-dioxo-, methyl ester, (11β,12α,15β)-
(11beta,12alpha,15beta)-13,20-Epoxy-2-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3,16-dioxo-picras-1-en-21-oic acid methyl ester
[Molecular Formula]

C32H42O16
[MDL Number]

MFCD01704317
[MOL File]

63306-30-9.mol
[Molecular Weight]

682.67
Chemical PropertiesBack Directory
[Melting point ]

184-189 °C
[Boiling point ]

895.2±65.0 °C(Predicted)
[density ]

1.55±0.1 g/cm3(Predicted)
[pka]

12.42±0.70(Predicted)
Hazard InformationBack Directory
[Uses]

Bruceoside A, an abundant quassinoid glycoside in Fructus Bruceae, possesses anti-cancer activity[1].
[Definition]

ChEBI: Bruceoside A is a triterpenoid saponin.
[in vivo]

Bruceoside A could be transformed into the potent anticancer component brusatol in vivo, rather than its direct deglycosylated metabolite bruceosin[1].

Animal Model:Male ICR mice weighing 25.0 ± 5.0 g[1].
Dosage:22.5 mg/kg.
Administration:Intragastrically administrated.
Result:Reached its highest levels in three hours with a half-life value of 3.99 h.
[References]

[1] Yuan Xu, et al. Pharmacokinetic study on bruceoside A revealed the potential role of quassinoid glycosides for the anticancer properties of Fructus Bruceae. J Pharm Biomed Anal. 2019 Jun 5;170:264-272. DOI:10.1016/j.jpba.2019.03.052
Spectrum DetailBack Directory
[Spectrum Detail]

bruceoside A(63306-30-9)1HNMR
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