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Oxyphyllol B

CAT: 0931-TN7323-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7323-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
226546-99-2
Target
Others
Related Pathways
Others
Bioactivity
Oxyphyllol B exhibits pronounced diuretic and antidiuretic properties.
Smiles
C[C@]12C([C@H](O)C[C@@H](C(C)=C)C1)=CC(=O)C[C@H]2C
Molecular Formula
C15H22O2
Molecular Weight
234.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Oxyphyllol B

Oxyphyllol B has been reported in Alpinia oxyphylla with data available.

CAS Number226546-99-2
PubChem CID11128252
IUPAC Name(4R,4aS,6S,8R)-8-hydroxy-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Molecular FormulaC15H22O2
Molecular Weight234.33
XLogP2.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity394
SMILES
C[C@@H]1CC(=O)C=C2[C@]1(C[C@@H](C[C@H]2O)C(=C)C)C
InChI
InChI=1S/C15H22O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h7,10-11,14,17H,1,5-6,8H2,2-4H3/t10-,11-,14-,15+/m1/s1
InChIKey
AHROGQKIGMNGTG-FKGLVLAHSA-N
Chemical Structure
2D Structure
2D structure of Oxyphyllol B
CAS: 226546-99-2
CID: 11128252
Formula: C15H22O2
MW: 234.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.33
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass234.161979940
Monoisotopic Mass234.161979940
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
M32532-01Oxyphyllol B

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