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Licarin A b

CAT: 0013-GTR19260371-04Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260371-04Size:5 mg
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Description
Licarin A is a neolignan isolated from various plants.
CAS Number
51020-86-1
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 50 mg/mL (153.19 mM; ) H2O : < 0.1 mg/mL (insoluble)
Smiles
O (C) C1=C2C ([C@@H] (C) [C@@H] (O2) C3=CC (OC) =C (O) C=C3) =CC (/C=C/C) =C1
Molecular Formula
C20H22O4
Molecular Weight
326.39
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(-)-Licarin A

(-)-Licarin A has been reported in Aristolochia fordiana, Jackiella javanica, and other organisms with data available.

CAS Number51020-86-1
PubChem CID6442393
IUPAC Name2-methoxy-4-[(2R,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
Molecular FormulaC20H22O4
Molecular Weight326.4
XLogP4.4
Topological Polar Surface Area47.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity437
SMILES
C/C=C/C1=CC2=C(C(=C1)OC)O[C@H]([C@@H]2C)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m1/s1
InChIKey
ITDOFWOJEDZPCF-OTBILJLCSA-N
Chemical Structure
2D Structure
2D structure of (-)-Licarin A
CAS: 51020-86-1
CID: 6442393
Formula: C20H22O4
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass326.15180918
Monoisotopic Mass326.15180918
Topological Polar Surface Area47.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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