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638-97-1

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638-97-1 Structure

638-97-1 Structure
IdentificationBack Directory
[Name]

18BETA(H)-OLEAN-12-EN-3-ONE
[CAS]

638-97-1
[Synonyms]

β-Amyron
β-Amyrone
Β-AMYRONE
β-Amyrone
beta-Amyrone
beta-AMyrenone
Olean-12-en-3-one
18(H)-Olean-12-en-3-one
18BETA(H)-OLEAN-12-EN-3-ONE
(6aR,6bS,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
[Molecular Formula]

C30H48O
[MDL Number]

MFCD04972118
[MOL File]

638-97-1.mol
[Molecular Weight]

424.7
Chemical PropertiesBack Directory
[Melting point ]

177-178 °C
[Boiling point ]

488.3±45.0 °C(Predicted)
[density ]

1.01±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

Solid
[color ]

White to off-white
[InChIKey]

LIIFBMGUDSHTOU-CFYIDONUSA-N
[SMILES]

C1(=O)[C@@]([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CC[C@](C1)(C)C)(C)CC3)[H])C)(C)CC2)[H])(C)C
Hazard InformationBack Directory
[Uses]

β-Amyron is used as inhibitor of cyclooxygenase and lipoxygenase enzymes to study the structure-activity relationships of pentacyclic triterpenoids.
[in vivo]

β-Amyrone (local administration on ear, 0.1-0.6 mg/kg, a single dose) inhibits ear edema formation in phenol-induced edema mice[1].

Animal Model:Ear phenol-induced edema in Balb C mice[1]
Dosage:0.1, 0.3, 0.6 mg/kg, a single dose
Administration:Local administration (20 ??L solution) on ear
Result:Inhibited ear edema formation in a dose-related manner (47% inhibition at the dose of 0.6mg/kg).
[IC 50]

COX-2
[storage]

4°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

18BETA(H)-OLEAN-12-EN-3-ONE(638-97-1)1HNMR
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