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Alnusonol

CAT: 0013-GTR19179988Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179988Size:5 mg
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Description
Alnusonol (CAS 52330-12-8) is a natural product used as a research chemical in the life sciences. It serves as a biochemical tool for in vitro studies, particularly in phytochemical and pharmacological research exploring natural compound bioactivity.
CAS Number
52330-12-8
Smiles
O[C@H]1CCc2ccc (O) c (c2) -c2cc (CCC (=O) C1) ccc2O
Molecular Formula
C19H20O4
Molecular Weight
312.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,11,17-Trihydroxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexen-9-one
CAS Number52330-12-8
PubChem CID25751154
IUPAC Name(11S)-3,11,17-trihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
Molecular FormulaC19H20O4
Molecular Weight312.4
XLogP2.6
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity410
SMILES
C1CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)CCC(=O)C[C@H]1O)O
InChI
InChI=1S/C19H20O4/c20-14-5-1-12-3-7-18(22)16(9-12)17-10-13(4-8-19(17)23)2-6-15(21)11-14/h3-4,7-10,14,20,22-23H,1-2,5-6,11H2/t14-/m0/s1
InChIKey
XVHOPVJSRBYOKK-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of 3,11,17-Trihydroxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexen-9-one
CAS: 52330-12-8
CID: 25751154
Formula: C19H20O4
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass312.13615911
Monoisotopic Mass312.13615911
Topological Polar Surface Area77.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity410
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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