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Alnusdiol

CAT: 0931-TN3381Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3381Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56973-51-4
Target
Others
Related Pathways
Others
Bioactivity
Alnusdiol exhibits the good scavenging activities against 2, 2-diphenyl-1-picryhydrazyl (DPPH), shows moderate anti-oxidant effects.
Smiles
OC1CCc2ccc(O)c(c2)-c2cc(CCC(O)C1)ccc2O
Molecular Formula
C19H22O4
Molecular Weight
314.381
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Alnusdiol
CAS Number56973-51-4
PubChem CID14704508
IUPAC Nametricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,11,17-tetrol
Molecular FormulaC19H22O4
Molecular Weight314.4
XLogP3
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity340
SMILES
C1CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)CCC(CC1O)O)O
InChI
InChI=1S/C19H22O4/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/h3-4,7-10,14-15,20-23H,1-2,5-6,11H2
InChIKey
YWQBDYGHWGZJOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alnusdiol
CAS: 56973-51-4
CID: 14704508
Formula: C19H22O4
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass314.15180918
Monoisotopic Mass314.15180918
Topological Polar Surface Area80.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity340
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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