Product Name

  • Name

    Neosperidin dihydrochalcone

  • EINECS 243-978-6
  • CAS No. 20702-77-6
  • Density 1.61 g/cm3
  • Solubility Insoluble in water
  • Melting Point 156-158 °C
  • Formula C28H36O15
  • Boiling Point 927.1 °C at 760 mmHg
  • Molecular Weight 612.585
  • Flash Point 302.6 °C
  • Transport Information
  • Appearance Off-white crystals or powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 20702-77-6 (Neosperidin dihydrochalcone)
  • Hazard Symbols
  • Synonyms 1-(4-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-;3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl) 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside;CCRIS 4848;Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-;NCI-C60764;Neohesperidin dhc;Nhdc;
  • PSA 245.29000
  • LogP -1.34200

Synthetic route

C30H42O16

C30H42O16

neohesperidin
20702-77-6

neohesperidin

Conditions
ConditionsYield
With citric acid pH=7; Reagent/catalyst; pH-value; Industrial scale;97.2%
C32H46O15

C32H46O15

neohesperidin
20702-77-6

neohesperidin

Conditions
ConditionsYield
With hydrogenchloride In water pH=6; pH-value; Reagent/catalyst; Industrial scale;96.8%
C32H44O16

C32H44O16

neohesperidin
20702-77-6

neohesperidin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium hydroxide; water / Industrial scale
2: platinum on activated charcoal / 5 h / 50 °C / 15001.5 Torr / Industrial scale
3: hydrogenchloride / water / pH 6 / Industrial scale
View Scheme
neohesperidin
13241-33-3, 61303-28-4, 61303-29-5, 61303-30-8, 61347-97-5, 61348-24-1, 88294-38-6, 139686-38-7

neohesperidin

neohesperidin
20702-77-6

neohesperidin

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: orthoformic acid triethyl ester; indium(III) chloride / 3 h / 70 °C / Industrial scale
2: sodium hydroxide; water / Industrial scale
3: platinum on activated charcoal / 5 h / 50 °C / 15001.5 Torr / Industrial scale
4: hydrogenchloride / water / pH 6 / Industrial scale
View Scheme
Multi-step reaction with 4 steps
1: trimethyl orthoformate; nido-decaborane / 6 h / 65 °C / Industrial scale
2: sodium carbonate; water / Industrial scale
3: hydrogen / 20 h / 35 °C / 3750.38 Torr / Industrial scale
4: citric acid / pH 7 / Industrial scale
View Scheme
C30H40O16

C30H40O16

neohesperidin
20702-77-6

neohesperidin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium carbonate; water / Industrial scale
2: hydrogen / 20 h / 35 °C / 3750.38 Torr / Industrial scale
3: citric acid / pH 7 / Industrial scale
View Scheme
C30H40O16

C30H40O16

neohesperidin
20702-77-6

neohesperidin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogen / 20 h / 35 °C / 3750.38 Torr / Industrial scale
2: citric acid / pH 7 / Industrial scale
View Scheme
neohesperidin
20702-77-6

neohesperidin

C28H34(2)H2O15

C28H34(2)H2O15

Conditions
ConditionsYield
With perchloric acid; [(2)H6]acetone; deuteromethanol at 20℃; for 72h; Inert atmosphere;97%
vinyl laurate
2146-71-6

vinyl laurate

neohesperidin
20702-77-6

neohesperidin

6''-O-lauroyl neohesperidin dihydrochalcone

6''-O-lauroyl neohesperidin dihydrochalcone

Conditions
ConditionsYield
With lipozyme TL IM from Thermomyces lanuginosus In tert-Amyl alcohol; dimethyl sulfoxide at 52℃; for 0.583333h; Flow reactor; Enzymatic reaction; regioselective reaction;86%
vinyl palmitate
693-38-9

vinyl palmitate

neohesperidin
20702-77-6

neohesperidin

6''-O-palmitoyl neohesperidin dihydrochalcone

6''-O-palmitoyl neohesperidin dihydrochalcone

Conditions
ConditionsYield
With lipozyme TL IM from Thermomyces lanuginosus In tert-Amyl alcohol; dimethyl sulfoxide at 52℃; for 0.583333h; Flow reactor; Enzymatic reaction; regioselective reaction;84%
neohesperidin
20702-77-6

neohesperidin

3-(3-hydroxy-4-methoxy-phenyl)-1-(2,4,6-trihydroxyphenyl)propan-1 -one
35400-60-3

3-(3-hydroxy-4-methoxy-phenyl)-1-(2,4,6-trihydroxyphenyl)propan-1 -one

Conditions
ConditionsYield
In methanol; sulfuric acid for 6h;77%
With hydrogenchloride In ethanol; water at 95℃; for 5h;62%
With hydrogenchloride In water at 80℃; for 2h;
With sulfuric acid In methanol for 6h; Reflux;
neohesperidin
20702-77-6

neohesperidin

A

C28H34(2)H2O15

C28H34(2)H2O15

B

C28H35(2)HO15

C28H35(2)HO15

Conditions
ConditionsYield
With perchloric acid; [(2)H6]acetone; d(4)-methanol at 20℃; for 72h; Inert atmosphere;A 35 %Spectr.
B 44 %Spectr.

Neosperidin dihydrochalcone Chemical Properties

IUPAC Name: 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
Synonyms of 1-Propanone,1-[4-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)- (CAS NO.20702-77-6): 1-(4-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)- ; 1-Propanone, 1-(4-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)2,6-dihydroxyphenyl)-3-(3-hydroxy-4-me ; 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl) 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside ; CCRIS 4848 ; EINECS 243-978-6 ; Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D- ; NCI-C60764 ; Neohesperidin dc ; Neohesperidin dhc ; Neohesperidin dihydrochalcone ; Nhdc
CAS NO: 20702-77-6
Classification Code: Mutation data
Molecular Formula of 1-Propanone,1-[4-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)- (CAS NO.20702-77-6): C28H36O15
Molecular Weight: 612.5764
Molecular Structure:

Melting Point: 156-158 °C 
H bond acceptors: 15
H bond donors: 9
Freely Rotating Bonds: 19
Polar Surface Area: 146.29 Å2
Index of Refraction: 1.684
Molar Refractivity: 143.85 cm3
Molar Volume: 378.7 cm3
Surface Tension: 97.5 dyne/cm
Density of 1-Propanone,1-[4-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)- (CAS NO.20702-77-6): 1.61 g/cm3
Flash Point: 302.6 °C
Enthalpy of Vaporization: 141.27 kJ/mol
Boiling Point: 927.1 °C at 760 mmHg

Neosperidin dihydrochalcone Uses

  1-Propanone,1-[4-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)- (CAS NO.20702-77-6) is used as high sweetness of non-nutritive sweeteners and flavor enhancer.

Neosperidin dihydrochalcone Safety Profile

WGK Germany: 3
RTECS: LZ5785000

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