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Marmesin

CAT: 0013-GTR19158379-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158379-02Size:500 mg
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Description
Marmesin is a coumarin originally isolated from the mature bark of A. marmelosexhibiting COX-2/5-LOX dual inhibitory activity.
CAS Number
13849-08-6
Product Name Alternative
(+) -Marmesin | (S) -Marmesin
Purity
>98% (HPLC)
Solubility
DMSO:2 mg/mL (8.12 mM)
Smiles
CC (C) (O) [C@@H]1Cc2cc3ccc (=O) oc3cc2O1
Molecular Formula
C14H14O4
Molecular Weight
246.26
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(+)-Marmesin

(+)-marmesin is a marmesin. It is an enantiomer of a nodakenetin.

CAS Number13849-08-6
PubChem CID334704
IUPAC Name(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
Molecular FormulaC14H14O4
Molecular Weight246.26
XLogP1.9
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity387
SMILES
CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
InChI
InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1
InChIKey
FWYSBEAFFPBAQU-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (+)-Marmesin
CAS: 13849-08-6
CID: 334704
Formula: C14H14O4
MW: 246.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.26
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass246.08920892
Monoisotopic Mass246.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity387
Isotope Atom Count0
Defined Atom Stereocenter Count1
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

CatalogName
FM74296-01Marmesin
MBS5776104(+/-)-Marmesin
T26369-01(+/-) -Marmesin
TRC-M000230-1G(+)-Marmesin
TRC-M000225-1G(-)-Marmesin
HY-N2176A-01(±) -Marmesin
TBW01240Isopropylidenylacetyl-marmesin
T126055-01Marmesin angelate
HY-N2176-01S- (+) -Marmesin
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