ChemicalBook--->CAS DataBase List--->514-67-0

514-67-0

514-67-0 Structure

514-67-0 Structure
IdentificationBack Directory
[Name]

RUBROPUNCTATIN
[CAS]

514-67-0
[Synonyms]

RUBROPUNCTATIN
Rubropuncatatin
(9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]furo[3,2-g]isochromene-2,9-dione
(R-(E))-9A-Methyl-3-(1-oxohexyl)-6-(1-propenyl)-2H-furo(3,2-G)(2)benzopyran-2,9(9ah)-dione
(R)-9a-Methyl-3-(1-oxohexyl)-6-[(E)-1-propenyl]-2H-furo[3,2-g][2]benzopyran-2,9(9aH)-dione
2H-Furo(3,2-G)(2)benzopyran-2,9(9ah)-dione, 9A-methyl-3-(1-oxohexyl)-6-(1-propenyl)-, (R-(E))-
2H-Furo[3,2-g][2]benzopyran-2,9(9aH)-dione, 9a-methyl-3-(1-oxohexyl)-6-(1E)-1-propen-1-yl-, (9aR)-
[Molecular Formula]

C21H22O5
[MDL Number]

MFCD34470836
[MOL File]

514-67-0.mol
[Molecular Weight]

354.4
Chemical PropertiesBack Directory
[Melting point ]

156.5-157.0 °C (decomp)(Solv: ethyl ether (60-29-7))
[Boiling point ]

638.8±55.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[form ]

Solid
[color ]

Yellow to orange
[InChI]

InChI=1S/C21H22O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10-12H,4,6-7,9H2,1-3H3/b8-5+/t21-/m1/s1
[InChIKey]

SULYDLFVUNXAMP-WKOQKXSESA-N
[SMILES]

C1(/C=C/C)OC=C2C(=O)[C@]3(C)OC(=O)C(C(=O)CCCCC)=C3C=C2C=1
Hazard InformationBack Directory
[Uses]

Rubropunctatin is used in preparation Method for separating and purifying Rubropunctatin in monascus polished glutinous rice.
[in vivo]

Rubropunctatin (8-32 mg/kg; i.v. for 5 times) has anti-tumor effect mice[1].
Rubropunctamine inhibits 12-O-tetradecanoylphorbol-13-acetate (TPA)-induced inflammation in mice, with an ID50 of 0.11 mg/ear[3].

Animal Model:Male nude mice (5 weeks) are inoculated with BGC-823 cells[1]
Dosage:8, 32 mg/kg
Administration:I.v. five times (day 1st, 4th, 7th, 10th, and 13th)
Result:Diminished the tumor volume by 11.1% (8 mg/kg) and 24.2% (32 mg/kg).
Reduced the tumor weight by 23.5% (8 mg/kg) and 37.7% (32 mg/kg).
No significant difference was observed on the body weight.
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