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Oxyphyllenodiol B

CAT: 0013-GTR19280346-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19280346-02Size:10 mg
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Description
Oxyphyllenodiol B is an eremophilane-type sesquiterpene compound isolated from the fruit of Alpinia oxyphylla. It exhibits potential anti-inflammatory properties by inhibiting the production of nitric oxide (NO) . The Alpinia oxyphylla plant is traditionally known for its effects against conditions such as diarrhea and dementia.
CAS Number
363610-32-6
Smiles
C (C) (C) [C@@H]1C2=C (C (=O) CC1) CC[C@@] (C) (O) [C@H]2O
Molecular Formula
C14H22O3
Molecular Weight
238.33
Notes
For research use only.

Chemical Information

Oxyphyllenodiol B

Oxyphyllenodiol B has been reported in Hypericum japonicum, Litsea verticillata, and other organisms with data available.

CAS Number363610-32-6
PubChem CID5279294
IUPAC Name(4R,5S,6R)-5,6-dihydroxy-6-methyl-4-propan-2-yl-2,3,4,5,7,8-hexahydronaphthalen-1-one
Molecular FormulaC14H22O3
Molecular Weight238.32
XLogP0.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity370
SMILES
CC(C)[C@H]1CCC(=O)C2=C1[C@@H]([C@](CC2)(C)O)O
InChI
InChI=1S/C14H22O3/c1-8(2)9-4-5-11(15)10-6-7-14(3,17)13(16)12(9)10/h8-9,13,16-17H,4-7H2,1-3H3/t9-,13+,14-/m1/s1
InChIKey
SZSSWPDHIZIMCT-BIGNPOOSSA-N
Chemical Structure
2D Structure
2D structure of Oxyphyllenodiol B
CAS: 363610-32-6
CID: 5279294
Formula: C14H22O3
MW: 238.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.32
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass238.15689456
Monoisotopic Mass238.15689456
Topological Polar Surface Area57.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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