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Nodakenin

CAT: 0572-TRC-N231835-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N231835-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
495-31-8
Synonyms
7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(β-D-glucopyranosyloxy)-1-methylethyl]-2,3-dihydro-, (2R)-; 7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(β-D-glucopyranosyloxy)-1-methylethyl]-2,3-dihydro-, (R)-; Nodakenin (8CI); (+)-Marmesinin; (2R)-2-[1-(β-D-Glucopyranosyloxy)-1-methylethyl]-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one; Nodakenetin, β-D-glucopyranoside
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2Cc3cc4C=CC(=O)Oc4cc3O2
Molecular Formula
C20 H24 O9
Molecular Weight
408.4
InChI
InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3/t13-,14-,16-,17+,18-,19+/m1/s1
Additionnal Information
IUPAC name: (2R)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Nodakenin

Nodakenin is a furanocoumarin.

CAS Number495-31-8
PubChem CID73191
IUPAC Name(2R)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
Molecular FormulaC20H24O9
Molecular Weight408.4
XLogP0.3
Topological Polar Surface Area135
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity650
SMILES
CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3/t13-,14-,16-,17+,18-,19+/m1/s1
InChIKey
HXCGUCZXPFBNRD-DNLMCPORSA-N
Chemical Structure
2D Structure
2D structure of Nodakenin
CAS: 495-31-8
CID: 73191
Formula: C20H24O9
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP30.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass408.14203234
Monoisotopic Mass408.14203234
Topological Polar Surface Area135 Ų
Heavy Atom Count29
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FN74165-01Nodakenin
A14736-25Nodakenin 25mg
A14736-10Nodakenin 10mg
HY-N0825R-01Nodakenin (Standard)
371728Nodakenin discontinued
A14736-5Nodakenin 5mg
A14736-1Nodakenin 1mg
A14736-10mM-DNodakenin 10mM * 1mL in DMSO

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