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5'-Demethoxycyrtonesin A

CAT: 0013-GTR19179905Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179905Size:5 mg
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Description
5'-Demethoxycyrtonesin A (CAS 1179524-22-1) is a natural product compound utilized in life science research. It serves as a biochemical tool for in vitro studies investigating biological pathways and has been referenced in research exploring natural product chemistry and bioactivity.
CAS Number
1179524-22-1
Smiles
OC=1C=CC2=C (C1) CCC3=CC=4OC (C5=CC=C (O) C (OC) =C5) C (C4C (OC) =C23) CO
Molecular Formula
C25H24O6
Molecular Weight
420.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5'-Demethoxycyrtonesin A
CAS Number1179524-22-1
PubChem CID90833490
IUPAC Name9-(4-hydroxy-3-methoxyphenyl)-10-(hydroxymethyl)-11-methoxy-5,6,9,10-tetrahydronaphtho[1,2-f][1]benzofuran-3-ol
Molecular FormulaC25H24O6
Molecular Weight420.5
XLogP3.7
Topological Polar Surface Area88.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity615
SMILES
COC1=C(C=CC(=C1)C2C(C3=C(O2)C=C4CCC5=C(C4=C3OC)C=CC(=C5)O)CO)O
InChI
InChI=1S/C25H24O6/c1-29-20-11-15(5-8-19(20)28)24-18(12-26)23-21(31-24)10-14-4-3-13-9-16(27)6-7-17(13)22(14)25(23)30-2/h5-11,18,24,26-28H,3-4,12H2,1-2H3
InChIKey
CNSFVRRYBBNAGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5'-Demethoxycyrtonesin A
CAS: 1179524-22-1
CID: 90833490
Formula: C25H24O6
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass420.15728848
Monoisotopic Mass420.15728848
Topological Polar Surface Area88.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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