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Phyltetralin

CAT: 0931-TN4771-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4771-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123048-17-9
Target
ROS Kinase
Related Pathways
Tyrosine Kinase/Adaptors
Bioactivity
Phyltetralin has antihyperuricemic activity.
Smiles
C(OC)[C@H]1[C@@H](C=2C(C[C@@H]1COC)=CC(OC)=C(OC)C2)C3=CC(OC)=C(OC)C=C3
Molecular Formula
C24H32O6
Molecular Weight
416.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Phyltetralin

Phyltetralin has been reported in Phyllanthus virgatus and Phyllanthus urinaria with data available.

CAS Number123048-17-9
PubChem CID11223782
IUPAC Name(1R,2S,3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-bis(methoxymethyl)-1,2,3,4-tetrahydronaphthalene
Molecular FormulaC24H32O6
Molecular Weight416.5
XLogP3.8
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity502
SMILES
COC[C@H]1CC2=CC(=C(C=C2[C@H]([C@@H]1COC)C3=CC(=C(C=C3)OC)OC)OC)OC
InChI
InChI=1S/C24H32O6/c1-25-13-17-9-16-11-22(29-5)23(30-6)12-18(16)24(19(17)14-26-2)15-7-8-20(27-3)21(10-15)28-4/h7-8,10-12,17,19,24H,9,13-14H2,1-6H3/t17-,19-,24-/m1/s1
InChIKey
CZZKSEXMNQGXJU-ROMRWMGNSA-N
Chemical Structure
2D Structure
2D structure of Phyltetralin
CAS: 123048-17-9
CID: 11223782
Formula: C24H32O6
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass416.21988874
Monoisotopic Mass416.21988874
Topological Polar Surface Area55.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity502
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

Alternative Products

CatalogName
HY-121397Phyltetralin

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