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Arisantetralone B

CAT: 0931-TN6632Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6632Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1161947-96-1
Bioactivity
Arisantetralone B is a natural product for research related to life sciences. The catalog number is TN6632 and the CAS number is 1161947-96-1.
Smiles
C[C@H]1[C@@H](C=2C(=CC(OC)=C(O)C2)C(=O)[C@H]1C)C3=CC(OC)=C(O)C=C3
Molecular Formula
C20H22O5
Molecular Weight
342.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arisantetralone B

Arisantetralone B has been reported in Schisandra arisanensis and Aristolochia holostylis with data available.

CAS Number1161947-96-1
PubChem CID13844291
IUPAC Name(2S,3S,4R)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dimethyl-3,4-dihydro-2H-naphthalen-1-one
Molecular FormulaC20H22O5
Molecular Weight342.4
XLogP3.7
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity481
SMILES
C[C@@H]1[C@@H](C(=O)C2=CC(=C(C=C2[C@H]1C3=CC(=C(C=C3)O)OC)O)OC)C
InChI
InChI=1S/C20H22O5/c1-10-11(2)20(23)14-9-18(25-4)16(22)8-13(14)19(10)12-5-6-15(21)17(7-12)24-3/h5-11,19,21-22H,1-4H3/t10-,11+,19-/m1/s1
InChIKey
WFNWOPFVZGRWFA-RMDKCXRXSA-N
Chemical Structure
2D Structure
2D structure of Arisantetralone B
CAS: 1161947-96-1
CID: 13844291
Formula: C20H22O5
MW: 342.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.4
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass342.14672380
Monoisotopic Mass342.14672380
Topological Polar Surface Area76 Ų
Heavy Atom Count25
Formal Charge0
Complexity481
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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