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(-) -Cedrusin

CAT: 0013-GTR19180261Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180261Size:5 mg
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Description
(-) -Cedrusin (CAS 404335-99-5) is a natural lignan used in life science research. It has been studied in vitro for its antioxidant and anti-inflammatory properties, with potential research applications in related biochemical and pharmacological fields.
CAS Number
404335-99-5
Smiles
COc1cc (ccc1O) [C@@H]1Oc2c (cc (CCCO) cc2O) [C@H]1CO
Molecular Formula
C19H22O6
Molecular Weight
346.379
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(-)-Cedrusin

(2R)-2beta-(3-Methoxy-4-hydroxyphenyl)-5-(3-hydroxypropyl)-7-hydroxy-2,3-dihydrobenzofuran-3alpha-methanol has been reported in Tsuga heterophylla, Pseudolarix amabilis, and other organisms with data available.

CAS Number404335-99-5
PubChem CID21722963
IUPAC Name(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol
Molecular FormulaC19H22O6
Molecular Weight346.4
XLogP1.8
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity419
SMILES
COC1=C(C=CC(=C1)[C@H]2[C@@H](C3=C(O2)C(=CC(=C3)CCCO)O)CO)O
InChI
InChI=1S/C19H22O6/c1-24-17-9-12(4-5-15(17)22)18-14(10-21)13-7-11(3-2-6-20)8-16(23)19(13)25-18/h4-5,7-9,14,18,20-23H,2-3,6,10H2,1H3/t14-,18+/m1/s1
InChIKey
PKORXOLYTWDULG-KDOFPFPSSA-N
Chemical Structure
2D Structure
2D structure of (-)-Cedrusin
CAS: 404335-99-5
CID: 21722963
Formula: C19H22O6
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass346.14163842
Monoisotopic Mass346.14163842
Topological Polar Surface Area99.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity419
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

Related Products

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GTR19181885Cedrin

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379806Cedrusin
MBS5787557(-)-Cedrusin
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