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Cedrusin

CAT: 1410-M31059-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M31059-02Size:5 mg
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Description
Cedrusin shows a cytotoxic effect on A375 and HeLa cells.
CAS Number
75775-36-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
346.4
Molecular Formula
C19H22O6
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Cedrusin

(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol has been reported in Abies nephrolepis, Chamaecyparis formosensis, and other organisms with data available.

CAS Number75775-36-9
PubChem CID11210164
IUPAC Name(2S,3R)-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+/m0/s1
InChIKey
PKORXOLYTWDULG-KBXCAEBGSA-N
Chemical Structure
2D Structure
2D structure of Cedrusin
CAS: 75775-36-9
CID: 11210164
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

Alternative Products

CatalogName
379806Cedrusin
MBS5787557(-)-Cedrusin
HY-N13681(-) -Cedrusin
AR-C06432-01Cedrusin Impurity 1 (3,4-O-Dimethylcedrusin)

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