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Qianhucoumarin A

CAT: 0013-GTR19180710Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180710Size:5 mg
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Description
Qianhucoumarin A (CAS 150135-35-6) is a coumarin compound isolated from Peucedanum species. It serves as a phytochemical reference standard and has been investigated in vitro for its potential biological activities, including anti-inflammatory and antioxidant effects.
CAS Number
150135-35-6
Smiles
O (C (/C (=C/C) /C) =O) [C@@H]1C=2C3=C (C=CC2OC (C) (C) [C@@H]1O) C=CC (=O) O3
Molecular Formula
C19H20O6
Molecular Weight
344.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Qianhucoumarin A

Qianhucoumarin A has been reported in Prionosciadium with data available.

CAS Number150135-35-6
PubChem CID6444285
IUPAC Name[(9R,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate
Molecular FormulaC19H20O6
Molecular Weight344.4
XLogP2.6
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity619
SMILES
C/C=C(\C)/C(=O)O[C@H]1[C@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O
InChI
InChI=1S/C19H20O6/c1-5-10(2)18(22)24-16-14-12(25-19(3,4)17(16)21)8-6-11-7-9-13(20)23-15(11)14/h5-9,16-17,21H,1-4H3/b10-5+/t16-,17-/m1/s1
InChIKey
QPLSCFLMIOADPA-AVTSYZAUSA-N
Chemical Structure
2D Structure
2D structure of Qianhucoumarin A
CAS: 150135-35-6
CID: 6444285
Formula: C19H20O6
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass344.12598835
Monoisotopic Mass344.12598835
Topological Polar Surface Area82.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AGA13535-01Qianhucoumarin A
TCA69261-01Qianhucoumarin G
582912Qianhucoumarin E
MBS5822986Qianhucoumarin C
MBS5822985Qianhucoumarin D
MBS5822987Qianhucoumarin B

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