ChemicalBook CAS DataBase List 1617-68-1

1617-68-1

Name	LUPEOL ACETATE
CAS	1617-68-1
EINECS(EC#)	216-575-8
Molecular Formula	C32H52O2
MDL Number	MFCD00017362
Molecular Weight	468.75
MOL File	1617-68-1.mol

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

Chemical Properties

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 Information

Spectrum Detail

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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.

1617-68-1

Chemical Properties

Hazard Information

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Definition

in vivo

IC 50

Spectrum Detail

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