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Naringin dihydrochalcone

CAT: 0024-sc-279909ASize: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-279909ASize:25 g
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CAS Number
18916-17-1

Chemical Information

Naringin dihydrochalcone

Naringin dihydrochalcone is a glycoside and a member of flavonoids.

CAS Number18916-17-1
PubChem CID9894584
IUPAC Name1-[4-[(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-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
Molecular FormulaC27H34O14
Molecular Weight582.5
XLogP-0.3
Topological Polar Surface Area236
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity827
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(=C(C(=C3)O)C(=O)CCC4=CC=C(C=C4)O)O)CO)O)O)O)O)O
InChI
InChI=1S/C27H34O14/c1-11-20(33)22(35)24(37)26(38-11)41-25-23(36)21(34)18(10-28)40-27(25)39-14-8-16(31)19(17(32)9-14)15(30)7-4-12-2-5-13(29)6-3-12/h2-3,5-6,8-9,11,18,20-29,31-37H,4,7,10H2,1H3/t11-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKey
CWBZAESOUBENAP-QVNVHUMTSA-N
Chemical Structure
2D Structure
2D structure of Naringin dihydrochalcone
CAS: 18916-17-1
CID: 9894584
Formula: C27H34O14
MW: 582.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.5
XLogP3-0.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Exact Mass582.19485575
Monoisotopic Mass582.19485575
Topological Polar Surface Area236 Ų
Heavy Atom Count41
Formal Charge0
Complexity827
Isotope Atom Count0
Defined Atom Stereocenter Count10
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
C6447-200Naringin Dihydrochalcone
MBS8506501-01Naringin Dihydrochalcone (Naringin DC)
HY-N0119R-01Naringin Dihydrochalcone (Standard)

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