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Alnusonol

CAT: 0931-TN5691Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5691Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52330-12-8
Bioactivity
Alnusonol is a natural product for research related to life sciences. The catalog number is TN5691 and the CAS number is 52330-12-8.
Smiles
O[C@H]1CCc2ccc(O)c(c2)-c2cc(CCC(=O)C1)ccc2O
Molecular Formula
C19H20O4
Molecular Weight
312.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
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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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