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Alnusone

CAT: 0013-GTR19182111Size: 1 mgDry Ice: NoHazardous: No
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Description
Alnusone (CAS 52330-11-7) is a natural product isolated from the Alnus genus. It serves as a phytochemical reference standard and has been investigated in vitro for its potential biological activities, including antimicrobial and antioxidant properties.
CAS Number
52330-11-7
Smiles
Oc1ccc2CC\C=C\C (=O) CCc3ccc (O) c (c3) -c1c2
Molecular Formula
C19H18O3
Molecular Weight
294.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Alnusone

(10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one has been reported in Alnus japonica with data available.

CAS Number52330-11-7
PubChem CID12751128
IUPAC Name(10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one
Molecular FormulaC19H18O3
Molecular Weight294.3
XLogP3.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity417
SMILES
C\1CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)CCC(=O)/C=C1)O
InChI
InChI=1S/C19H18O3/c20-15-4-2-1-3-13-6-9-18(21)16(11-13)17-12-14(5-8-15)7-10-19(17)22/h2,4,6-7,9-12,21-22H,1,3,5,8H2/b4-2+
InChIKey
VWORGKSAVUQKSQ-DUXPYHPUSA-N
Chemical Structure
2D Structure
2D structure of Alnusone
CAS: 52330-11-7
CID: 12751128
Formula: C19H18O3
MW: 294.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.3
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass294.125594432
Monoisotopic Mass294.125594432
Topological Polar Surface Area57.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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