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(-) -Zuonin A

CAT: 0926-JDA70925-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-JDA70925-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
84709-25-1
Smiles
CC1=CC=C (C=C1) NC (=O) C2=C (SC3=C2CCCC3) N4C (=CC (=C4C) C=O) C
Molecular Formula
C20H20O5
Molecular Weight
340.4 g/mol
Controlled
No

Chemical Information

(-)-Zuonin A

(-)-Zuonin A has been reported in Saururus chinensis with data available.

CAS Number84709-25-1
PubChem CID12310041
IUPAC Name5-[(2S,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole
Molecular FormulaC20H20O5
Molecular Weight340.4
XLogP4.1
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity443
SMILES
C[C@@H]1[C@@H]([C@H](O[C@@H]1C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C
InChI
InChI=1S/C20H20O5/c1-11-12(2)20(14-4-6-16-18(8-14)24-10-22-16)25-19(11)13-3-5-15-17(7-13)23-9-21-15/h3-8,11-12,19-20H,9-10H2,1-2H3/t11-,12+,19-,20-/m0/s1
InChIKey
QFUXQRHAJWXPGP-YLYZPZNOSA-N
Chemical Structure
2D Structure
2D structure of (-)-Zuonin A
CAS: 84709-25-1
CID: 12310041
Formula: C20H20O5
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass340.13107373
Monoisotopic Mass340.13107373
Topological Polar Surface Area46.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity443
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

Alternative Products

CatalogName
GTR19217948-01(+) -Zuonin A
MBS5825240(+)-Zuonin A
HY-N7394A(-) -Zuonin A
T3S1541-01(Iso) (-) -Zuonin A

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