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Neohesperidin

CAT: 1410-M17949-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M17949-01Size:50 mg
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Description
Neohesperidin with antioxidant and neuroprotective properties.
CAS Number
13241-33-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
610.56
Molecular Formula
C28H34O15
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Neohesperidin

Neohesperidin is a flavanone glycoside that is hesperitin having an 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety attached to the 7-hydroxy group. It has a role as an antineoplastic agent and a plant metabolite. It is a member of 4'-methoxyflavanones, a neohesperidoside, a monomethoxyflavanone, a dihydroxyflavanone, a member of 3'-hydroxyflavanones, a disaccharide derivative and a flavanone glycoside. It is functionally related to a hesperetin.

CAS Number13241-33-3
PubChem CID442439
IUPAC Name(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC28H34O15
Molecular Weight610.6
XLogP-0.5
Topological Polar Surface Area234
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity940
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
InChI
InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChIKey
ARGKVCXINMKCAZ-UZRWAPQLSA-N
Chemical Structure
2D Structure
2D structure of Neohesperidin
CAS: 13241-33-3
CID: 442439
Formula: C28H34O15
MW: 610.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.6
XLogP3-0.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass610.18977037
Monoisotopic Mass610.18977037
Topological Polar Surface Area234 Ų
Heavy Atom Count43
Formal Charge0
Complexity940
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
460651-01Neohesperidin

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