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Phrymarolin B

CAT: 0804-HY-N16622Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N16622Size:1 Each
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Description
Phrymarolin B is a lignan. Phrymarolin B can be isolated from P. leptostachya L[1].
CAS Number
1363160-29-5
UNSPSC
12352005
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
O[C@@]12[C@@](CO[C@@H]2OC3=CC=C(OCO4)C4=C3)([H])[C@@H](C5=CC=C(OCO6)C6=C5O)OC1
Molecular Formula
C20H18O9
Molecular Weight
402.35
References & Citations
[1]Zhang JW, et al. Synthesis and larvicidal activity against Culex pipiens pallens of new triazole derivatives of phrymarolin from Phryma leptostachya L. Int J Mol Sci. 2013 Dec 10;14 (12) :24064-73.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Phrymarolin B

Phrymarolin III has been reported in Phryma leptostachya with data available.

CAS Number1363160-29-5
PubChem CID101568893
IUPAC Name5-[(3R,3aS,6S,6aR)-3-(1,3-benzodioxol-5-yloxy)-3a-hydroxy-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-1,3-benzodioxol-4-ol
Molecular FormulaC20H18O9
Molecular Weight402.4
XLogP1.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity619
SMILES
C1[C@@H]2[C@H](OC[C@@]2([C@H](O1)OC3=CC4=C(C=C3)OCO4)O)C5=C(C6=C(C=C5)OCO6)O
InChI
InChI=1S/C20H18O9/c21-16-11(2-4-14-18(16)28-9-26-14)17-12-6-23-19(20(12,22)7-24-17)29-10-1-3-13-15(5-10)27-8-25-13/h1-5,12,17,19,21-22H,6-9H2/t12-,17-,19-,20-/m1/s1
InChIKey
VXVSGQZUKPFANF-URGABHJQSA-N
Chemical Structure
2D Structure
2D structure of Phrymarolin B
CAS: 1363160-29-5
CID: 101568893
Formula: C20H18O9
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass402.09508215
Monoisotopic Mass402.09508215
Topological Polar Surface Area105 Ų
Heavy Atom Count29
Formal Charge0
Complexity619
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

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