Neohesperidin dihydrochalcone

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Systematic / IUPAC Name: 3,5-Dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

ID: Reference3462

Other Names: Neohesperidin DC ;
Neohesperidin DHC ;
Neohesperidine dihydrochalcone;
NHDC ;
1-(4-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)- ; more

Formula: C28H36O15

Class: Endogenous Metabolites Excipients/Additives/Colorants Personal Care Products/Cosmetics

Spectral Data

Neohesperidin dihydrochalcone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 5564
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/2/2015 2:52:50 PM
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Identificators

InChI InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChI Key ITVGXXMINPYUHD-CUVHLRMHSA-N
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)O
CAS 20702776
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Other Names Neohesperidin DC ;
Neohesperidin DHC ;
Neohesperidine dihydrochalcone;
NHDC ;
1-(4-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)- ;
1-(4-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one ;
1-(4-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-1-propanone ;
1-(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-(3-hydroxy-4-methoxyphenyl)propan-1-one ;
1-Propanone,1-(4-{[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)- ;
3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside ;
Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-α-L-mannopyranosyl), β-D-

In Other Databases

ChemIDPlus 020702776
ChEBI CHEBI:83535
Wikipedia Neohesperidin_dihydrochalcone
PubChem 30231
ChemSpider 28072