ChemicalBook--->CAS DataBase List--->1617-68-1

1617-68-1

1617-68-1 Structure

1617-68-1 Structure
IdentificationBack Directory
[Name]

LUPEOL ACETATE
[CAS]

1617-68-1
[Synonyms]

NSC 281806
Aids076591
Aids-076591
LUPEOL ACETATE
3-Acetyllupeol
Lupeyl acetate
Lupenyl acetate
3-O-Acetyllupeol
Lupeol 3-acetate
LUPEOL ACETATE(RG)
3β-Acetoxylupa-20(29)-ene
Lup-20(29)-en-3-yl acetate
Lup-20(29)-en-3β-ol acetate
Lupa-20(29)-ene-3β-ol 3-acetate
Lup-20(29)-en-3beta-ol, acetate
5α-Lupa-20(29)-ene-3β-ol acetate
Lup-20(29)-en-3-ol, acetate, (3β)-
Lup-20(29)-en-3-ol, acetate, (3beta)-
LUPEOL ACETATE (REAGENT / STANDARD GRADE)
(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-Hexamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-yl acetate
Acetic acid (1R,3ar,4S,5ar,5br,7ar,9S,11ar,11br,13ar,13br)-1-isopropenyl-3A,5A,5B,8,8,11A-hexamethyl-eicosahydro-cyclopenta[A]chrysen-9-yl ester
[EINECS(EC#)]

216-575-8
[Molecular Formula]

C32H52O2
[MDL Number]

MFCD00017362
[MOL File]

1617-68-1.mol
[Molecular Weight]

468.75
Chemical PropertiesBack Directory
[Melting point ]

218°C
[Boiling point ]

502.7±19.0 °C(Predicted)
[density ]

1.01±0.1 g/cm3(Predicted)
[form ]

Solid
[color ]

White to off-white
[InChIKey]

ODSSDTBFHAYYMD-NVDDSYLUNA-N
[SMILES]

[C@@]12(C)CC[C@@]3(C)CC[C@@H](C(=C)C)[C@]3([H])[C@@]1([H])CC[C@]1([H])[C@@]3(C)CC[C@H](OC(=O)C)C(C)(C)[C@]3([H])CC[C@@]21C |&1:0,4,8,12,14,18,20,24,32,36,r|
[LogP]

11.870 (est)
Hazard InformationBack Directory
[Uses]

antiulcer
[Definition]

ChEBI: Lupeol acetate is an organic molecular entity. It has a role as a metabolite.
[in vivo]

Lupeol acetate (50 mg/kg; Intraperitoneal injection; 21 days) shows improvement in the mouse model of rheumatoid arthritis[3].
Lupeol acetate (10 mg/day; Oral administration; 60 days) plays an anti-fertility role in male rats[4].

Animal Model:DBA/1J mouse aged 8 weeks old with collagen-induced arthritis[3]
Dosage:50 mg/kg
Administration:Intraperitoneal injection (i.p.); 21 days
Result:Reduced the incidence of arthritis and relieved symptoms of rheumatoid arthritis.
Significantly decreased clinical score and paw thickness.
Significantly lowered TNF-α and IL-1β levels in serum.
Inhibited inflammatory activity, significantly decreased the accumulation of 18F-FDG in the joints.
Reduced the infiltration of macrophages and bone erosion.
Animal Model:Male albino rats of the Wistar strain aged 3.5-4 months old (170 and 200 g)[4]
Dosage:10 mg/day
Administration:Oral administration (p.o.); 60 days
Result:Did not cause any significant change in the body weights, but significantly reduced in the weight of reproductive organs, i.e. testes, epididymides, seminal vesicle and ventral prostate.
Significantly declined testicular sperm count, epididymal sperm count and motility, which resulted in reduction of male fertility by 100%.
Interfered with spermatogenesis and significantly reduced most tubule cell types.
Significantly reduced biochemical parameters of tissues i.e. protein, sialic acid, glycogen and cholesterol content of testes and seminal vesicular fructose.
[IC 50]

COX-2
Spectrum DetailBack Directory
[Spectrum Detail]

LUPEOL ACETATE(1617-68-1)1HNMR
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