| Identification | Back Directory | [Name]
Praeruptorin A | [CAS]
73069-25-7 | [Synonyms]
PRAERUPTORIN A
DL-Praeruptorin A
Praeruptorin A
DL-Praeruptorin A
9,10-dihydro-8,8-dimethyl-2-oxo-2H, 8H-
2-Butenoicacid, 2-methyl-, (9S, 10S)-10-(acetyloxy)- | [Molecular Formula]
C21H22O7 | [MDL Number]
29329990 | [MOL File]
73069-25-7.mol | [Molecular Weight]
386.398 |
| Chemical Properties | Back Directory | [Melting point ]
135-139°C | [Boiling point ]
486.8±45.0 °C(Predicted) | [density ]
1.28 | [storage temp. ]
-20°C Freezer, Under inert atmosphere | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [color ]
White to Off-White | [Water Solubility ]
sparingly soluble in water | [InChI]
InChI=1/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/s3 | [InChIKey]
XGPBRZDOJDLKOT-SLGVMADTNA-N | [SMILES]
O([C@@H]1[C@@H](C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12)OC(=O)/C(/C)=C\C)C(=O)C |&1:1,2,r| |
| Hazard Information | Back Directory | [Uses]
Praeruptorin A is used in the treatment of cardiac diseases, extracted from Peucedani Radix, it exhibits anti-hypertensive effects. Also a potential anti-tumor agent due to the ability to modulate P-glycoprotein (Pgp), overexpression in MDR tumor cells. |
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