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Qianhucoumarin C

CAT: 0013-GTR19218667Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218667Size:5 mg
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Description
Qianhucoumarin C is a bioactive coumarin derivative isolated from Peucedanum praeruptorum roots. It demonstrates promising anti-inflammatory, antioxidant, and anticancer activities in vitro, supporting its research applications in pharmacology and natural product development for therapeutic discovery.
CAS Number
152615-15-1
Smiles
O (C (C) =O) [C@H]1C=2C3=C (C=CC2OC (C) (C) [C@H]1O) C=CC (=O) O3
Molecular Formula
C16H16O6
Molecular Weight
304.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+/-)-Monoacetyl-cis-khellactone
CAS Number152615-15-1
PubChem CID51666254
IUPAC Name[(9S,10S)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] acetate
Molecular FormulaC16H16O6
Molecular Weight304.29
XLogP1.4
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity511
SMILES
CC(=O)O[C@@H]1[C@@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O
InChI
InChI=1S/C16H16O6/c1-8(17)20-14-12-10(22-16(2,3)15(14)19)6-4-9-5-7-11(18)21-13(9)12/h4-7,14-15,19H,1-3H3/t14-,15-/m0/s1
InChIKey
IPUBQCBQSUVXEV-GJZGRUSLSA-N
Chemical Structure
2D Structure
2D structure of (+/-)-Monoacetyl-cis-khellactone
CAS: 152615-15-1
CID: 51666254
Formula: C16H16O6
MW: 304.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.29
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass304.09468823
Monoisotopic Mass304.09468823
Topological Polar Surface Area82.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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