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Niranthin 1mg

CAT: 0628-A12094-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A12094-1Size:1 mg
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CAS Number
50656-77-4

Chemical Information

Niranthin

6-[(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-2H-1,3-benzodioxole has been reported in Phyllanthus urinaria, Phyllanthus niruri, and Scoparia dulcis with data available.

CAS Number50656-77-4
PubChem CID11575632
IUPAC Name6-[(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole
Molecular FormulaC24H32O7
Molecular Weight432.5
XLogP4.1
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count31
Formal Charge0
Complexity504
SMILES
COC[C@@H](CC1=CC(=C(C=C1)OC)OC)[C@H](CC2=CC3=C(C(=C2)OC)OCO3)COC
InChI
InChI=1S/C24H32O7/c1-25-13-18(8-16-6-7-20(27-3)21(10-16)28-4)19(14-26-2)9-17-11-22(29-5)24-23(12-17)30-15-31-24/h6-7,10-12,18-19H,8-9,13-15H2,1-5H3/t18-,19-/m1/s1
InChIKey
RCFGIEPQSDGMJJ-RTBURBONSA-N
Chemical Structure
2D Structure
2D structure of Niranthin
CAS: 50656-77-4
CID: 11575632
Formula: C24H32O7
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass432.21480336
Monoisotopic Mass432.21480336
Topological Polar Surface Area64.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity504
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS3614094-01Niranthin
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AR-N08795-01(R, R) -Niranthin
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