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Quercetol C

CAT: 0013-GTR19227737-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227737-02Size:2 mg
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Description
Quercetol C (CAS 119061-08-4) is a research chemical employed in life science studies. It is utilized in both in vitro and in vivo experimental research to investigate biological processes and potential therapeutic applications.
CAS Number
119061-08-4
Smiles
COc1cc (OC) c2C (=O) C[C@H] (Oc2c1\C=C\C (C) (C) O) c1ccccc1
Molecular Formula
C22H24O5
Molecular Weight
368.429
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CAS Number119061-08-4
PubChem CID15714488
IUPAC Name(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular FormulaC22H24O5
Molecular Weight368.4
XLogP3.2
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity537
SMILES
CC(C)(/C=C/C1=C2C(=C(C=C1OC)OC)C(=O)C[C@H](O2)C3=CC=CC=C3)O
InChI
InChI=1S/C22H24O5/c1-22(2,24)11-10-15-18(25-3)13-19(26-4)20-16(23)12-17(27-21(15)20)14-8-6-5-7-9-14/h5-11,13,17,24H,12H2,1-4H3/b11-10+/t17-/m0/s1
InChIKey
DKYFESWWIPJYTA-DVQDXYAYSA-N
Chemical Structure
2D Structure
2D structure of (2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CAS: 119061-08-4
CID: 15714488
Formula: C22H24O5
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass368.16237386
Monoisotopic Mass368.16237386
Topological Polar Surface Area65 Ų
Heavy Atom Count27
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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