Basic Nutrition Neohesperidin Dihydrochalcone

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Neohesperidin Dihydrochalcone

Synopsis

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Chemistry

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Also known as: 20702-77-6, Nhdc, Neohesperidin dc, Neohesperidin dhc, Neohesperidine dihydrochalcone, Neohesperidine

Molecular Formula

C₂₈H₃₆O₁₅

Molecular Weight

612.6 g/mol

InChI Key

ITVGXXMINPYUHD-CUVHLRMHSA-N

FDA UNII

3X476D83QV

1 2D Structure

Neohesperidin Dihydrochalcone

2 Identification

2.1 Computed Descriptors

2.1.1 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

2.1.2 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

2.1.3 InChI Key

ITVGXXMINPYUHD-CUVHLRMHSA-N

2.1.4 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

2.1.5 Isomeric 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)OC)O)O)CO)O)O)O)O)O

2.2 Other Identifiers

2.2.1 UNII

3X476D83QV

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Neohesperidine Dc

2. Neohesperidine Dihydrochalcone

2.3.2 Depositor-Supplied Synonyms

1. 20702-77-6

2. Nhdc

3. Neohesperidin Dc

4. Neohesperidin Dhc

5. Neohesperidine Dihydrochalcone

6. Neohesperidine

7. Nci-c60764

8. Neohesperidin-dihydrochalcone

9. Neosperidin Dihydrochalcone

10. 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

11. Neohesperidin Dihydrochalone

12. Chebi:83535

13. 3x476d83qv

14. 1-(4-((2-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one

15. 1-propanone, 1-[4-[[2-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-

16. Citrosa

17. Neohesperidine Dc

18. 1-(4-(((2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)tetrahydro-2h-pyran-2-yl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one

19. 1-propanone, 1-(4-((2-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-

20. Ccris 4848

21. Einecs 243-978-6

22. Unii-3x476d83qv

23. Neohesperidin Dihydrochalcone (nhdc)

24. Neosperidin-dihydrochalcone

25. Dsstox_cid_5706

26. Dsstox_rid_77887

27. Dsstox_gsid_25706

28. 1-(4-((2-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-

29. 1-propanone, 1-(4-((2-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-me

30. 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl) 2-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside

31. Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-o-(6-deoxy-alpha-l-mannopyranosyl)-, Beta-d-

32. Schembl909958

33. Chembl1159645

34. Dtxsid3025706

35. Fema No. 3811

36. Itvgxxminpyuhd-cuvhlrmhsa-

37. Hms3884h13

38. Hy-n0154

39. Zinc4175639

40. Tox21_200303

41. S2331

42. 1-(4-((2-o-[6-deoxy-&alpha

43. Akos015895239

44. Ccg-270237

45. Cs-6419

46. Ncgc00091109-01

47. Ncgc00091109-02

48. Ncgc00091109-04

49. Ncgc00257857-01

50. 1-(4-((2-o-[6-deoxy-alpha-l-mannopyranosyl]-beta-d-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-[3-hydroxy-4-methoxyphenyl]-1-propanone

51. 3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside

52. Ac-34860

53. As-15190

54. Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-o-(6-deoxy-.alpha.-l-mannopyranosyl)-, .beta.-d-

55. Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-o-(6-deoxy-alpha-l-mannopyranosyl)-, Beta-d-

56. Neohesperidin Dihydrochalcone [mi]

57. Neohesperidin Dihydrochalcone, >=96%, Fg

58. Neohesperidin Dihydrochalone [fhfi]

59. Cas-20702-77-6

60. Neohesperidin Dihydrochalcone [inci]

61. Neohesperidine Dihydrochalcone [fcc]

62. N0675

63. Neohesperidin Dihydrochalcone [usp-rs]

64. Neohesperidin Dihydrochalcone, >=95% (hplc)

65. Neohesperidine Dihydrochalcone [usp-rs]

66. Neohesperidin Dihydrochalcone, Analytical Standard

67. 702n776

68. A814825

69. Q424595

70. Sr-01000883756

71. Neohesperidin-dihydrochalcone [ep Monograph]

72. Q-201457

73. Sr-01000883756-1

74. Brd-k61032563-001-02-9

75. Hesperetin Dihydrochalcone-4'-.beta.-neohesperidoside

76. Neohesperidin Dihydrochalcone, European Pharmacopoeia (ep) Reference Standard

77. Neohesperidin Dihydrochalcone, United States Pharmacopeia (usp) Reference Standard

78. 1-(4-((2-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-dihydrochalcone Glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one

79. 1-(4-((2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yloxy)tetrahydro-2h-pyran-2-yloxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one

80. 1-[4-[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-2-[(2r,3r,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-2,6-dihydroxy-phenyl]-3-(3-hydroxy-4-methoxy-phenyl)propan-1-one

81. 1-[4-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5

82. 1-[4-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,6-dihydroxy-phenyl]-3-(3-hydroxy-4-methoxy-phenyl)propan-1-one

83. 1-propanone, 1-(4-((2-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-

84. Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-o-.alpha.-l-rhamnopyranosyl-

2.4 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₆O₁₅
Molecular Weight	612.6 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	10
Exact Mass	612.20542044 g/mol
Monoisotopic Mass	612.20542044 g/mol
Topological Polar Surface Area	245 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	882
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Neohesperidin Dihydrochalcone

About the Company : HTBA (HealthTech BioActives) is a leading global company highly specialized in flavonoids and vitamin B12 derivatives After 40 years in the pharmaceutical world of ingredients of ...

HTBA (HealthTech BioActives) is a leading global company highly specialized in flavonoids and vitamin B12 derivatives After 40 years in the pharmaceutical world of ingredients of natural origin, HTBA is determined to formulate today the new methods of tomorrow. HTBA covers the entire value chain, from raw materials to merchandise, with global reach in pharmaceuticals, dietary supplements, human and animal nutrition, and in cosmetics. In HTBA we know that our ingredients have a direct impact, not only in our clients activity but also in the well-being of the consumers of their products.