OBACUNON CAS 751-03-1

Introduction：Basic information about OBACUNON CAS 751-03-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

OBACUNON Basic information

• Product Name: OBACUNON
• Synonyms: (5aR,5bR,7aS,8R,10aS,11aR,11bR,13aR)-8-(3-Furyl)-1,1,5a,7a,11b-pentamethyl-5b,6,7,7a,8,11b,13,13a-octahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepine-3,10,12(1H,5aH,10aH)-trione;OBACUNON;Obacunone, 98%, from Dictamnus dasycarps Turcz.;Obacunone;Ai3-37934;Ccris 8657;Obacunoic acid, eta-lactone;Oxireno(4,4A)-2-benzopyrano(6,5-G)(2)benzoxepin-3,5,9(3ah,4bh,6H)-trione, 1-(3-furanyl)-1,6A,7,11A,11B,12,13,13A-octahydro-4B,7,7,11A,13A-pentamethyl-, (1S,3as,4ar,4br,6ar,11ar,11br,11br,13as)-
• CAS: 751-03-1
• MF: C26H30O7
• MW: 454.51
• Product Categories: chemical reagent;pharmaceutical intermediate;phytochemical;reference standards from Chinese medicinal herbs (TCM).;standardized herbal extract;Limonoids (Citrus, Bitter Compounds)
• Mol File: 751-03-1.mol

OBACUNON Chemical Properties

• Melting point: 229～230℃
• Boiling point: 626.2±55.0 °C(Predicted)
• density: 1.32±0.1 g/cm3(Predicted)
• storage temp.: 2-8°C
• solubility: DMSO : 250 mg/mL (550.04 mM; Need ultrasonic)
• form: Solid
• color: White
• InChIKey: MAYJEFRPIKEYBL-OASIGRBWSA-N
• SMILES: O1C(C)(C)[C@]2([H])CC(=O)[C@@]3(C)[C@@]45O[C@]4([H])C(=O)O[C@@H](C4C=COC=4)[C@]5(C)CC[C@]3([H])[C@@]2(C)C=CC1=O

Safety Information

• Safety Statements: 24/25
• WGK Germany: 3
• RTECS: RR1104200
• HS Code: 29322090

OBACUNON Usage And Synthesis

Chemical Properties

OBACUNON is a colorless columnar crystal. It is insoluble in water, easily soluble in chloroform, acetone, glacial acetic acid, insoluble in ether, and slightly soluble in ethanol.

Uses

OBACUNON can be used for content determination, identification and pharmacological experiments. It has the functions of antipyretic and dysentery, and at the same time can enhance the cytotoxic effect of antitumor drugs.

Definition

ChEBI: Obacunone is a limonoid.

Synthesis

OBACUNON was extracted from Densefruit Pittany Root-bark with 8 times the amount of 95% ethanol for 2 times, 1 h each time. According to the optimized extraction process, the extraction rate of OBACUNON was 4.192 mg/g.

in vivo

Obacunone (10 mg/kg; ip; single dose) inhibits Bleomycin (HY-108345)-induced lung inflammation and fibrosis in B6 mice^[3].