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751-03-1

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751-03-1 Structure

751-03-1 Structure
IdentificationBack Directory
[Name]

OBACUNON
[CAS]

751-03-1
[Synonyms]

Obacune
OBACUNON
Obacunone
Ai3-37934
Ccris 8657
CasiMirolide
Tricoccin S3
OBACUNON USP/EP/BP
Obacunoic acid ε-lactone
Obacunoic acid, eta-lactone
Obacunone, 98%, from Dictamnus dasycarps Turcz.
(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
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,13aS)-
(1S,3aS,4aR,4bR,6aR,11aR,11bR,13aS)-1-(furan-3-yl)-4b,7,7,11a,13a-pentamethyl-1,6a,7,11a,11b,12,13,13a-octahydrooxepino[4',3':3,4]benzo[1,2-f]oxireno[2,3-d]isochromene-3,5,9(3aH,4bH,6H)-trione
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)-
[Molecular Formula]

C26H30O7
[MDL Number]

MFCD00075888
[MOL File]

751-03-1.mol
[Molecular Weight]

454.516
Chemical PropertiesBack Directory
[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 ]

neat
[color ]

White
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Safety Statements ]

24/25
[WGK Germany ]

3
[RTECS ]

RR1104200
[HS Code ]

29322090
Hazard InformationBack Directory
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

OBACUNON(751-03-1)MS
OBACUNON(751-03-1)1HNMR
OBACUNON(751-03-1)IR1
OBACUNON(751-03-1)IR2
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