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Chemistry

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Also known as: 520-26-3, Cirantin, Hesperidoside, Hesperetin 7-rhamnoglucoside, Hesperidine, Hesper bitabs
Molecular Formula
C28H34O15
Molecular Weight
610.6  g/mol
InChI Key
QUQPHWDTPGMPEX-QJBIFVCTSA-N
FDA UNII
E750O06Y6O

Hesperidin
A flavanone glycoside found in CITRUS fruit peels.
1 2D Structure

Hesperidin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
2.1.2 InChI
InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
2.1.3 InChI Key
QUQPHWDTPGMPEX-QJBIFVCTSA-N
2.1.4 Canonical SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
2.1.5 Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
2.2 Other Identifiers
2.2.1 UNII
E750O06Y6O
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2s, Hesperidin

2. 4h-1-benzopyran-4-one, 7-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (s)-

3. 7-rhamnoglucoside, Hesperetin

4. Hesperetin 7 Rhamnoglucoside

5. Hesperetin 7 Rutinoside

6. Hesperetin 7-rhamnoglucoside

7. Hesperetin-7-rutinoside

8. Hesperidin 2s

2.3.2 Depositor-Supplied Synonyms

1. 520-26-3

2. Cirantin

3. Hesperidoside

4. Hesperetin 7-rhamnoglucoside

5. Hesperidine

6. Hesper Bitabs

7. Ciratin

8. (s)-(-)-hesperidin

9. Hesperetin 7-rutinoside

10. Nsc 44184

11. (2s)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

12. Hesperetin-7-rutinoside

13. Mls001304066

14. Hesperetin 7-o-rutinoside

15. Chebi:28775

16. Hesperitin-7-rhamnoglucoside

17. E750o06y6o

18. Hesperidin (jan)

19. (s)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-((((2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)methyl)tetrahydro-2h-pyran-2-yl)oxy)chroman-4-one

20. Hesperetin-rutinosid

21. Smr000718775

22. Hesperidin [jan]

23. Mfcd00075663

24. (2s)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside

25. (s)-7-[[6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4h-1-benzopyran-4-one

26. Aurantiamarin (methyl Hesperidin)

27. (2s)-hesperidin

28. (2s)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one

29. (2s)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-4-one

30. Ccris 3940

31. Hesperitin-7-rutinoside

32. Sr-01000799145

33. Einecs 208-288-1

34. Brn 0075140

35. Unii-e750o06y6o

36. Hesperetin-7-o-rhamnoglucoside

37. Nsc-44184

38. Hesperidin,(s)

39. Ncgc00016481-01

40. (2s)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxy-a-l-mannopyranosyl)-ss-d-glucopyranoside

41. (2s)-7-[[6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4h-1-benzopyran-4-one (hesperidin)

42. (s)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(((2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yloxy)methyl)tetrahydro-2h-pyran-2-yloxy)chroman-4-one

43. Cas-520-26-3

44. C28h34o15

45. Diosvein

46. Hesperiden Powder

47. 3',5'-dihydroxy-4'-methoxy-7-rutinosyloxyflavan-4-on

48. Diosmin Ep Impurity B

49. Hesperidin, >=80%

50. Hesperidin [mi]

51. Diosmin [ndi]

52. Prestwick3_000400

53. Hesperidin [inci]

54. Hesperidin [vandf]

55. Ec 208-288-1

56. Glucopyranoside, Hesperetin-7 6-o-(6-deoxy-alpha-l-mannopyranosyl)-, Beta-d-

57. Hesperetin, 7-(6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside)

58. Hesperidin [mart.]

59. Dsstox_cid_24328

60. Dsstox_rid_80154

61. Hesperidin [usp-rs]

62. Hesperidin [who-dd]

63. Dsstox_gsid_44328

64. Schembl94586

65. Bspbio_000619

66. 4h-1-benzopyran-4-one, 7-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2,3-dihydo-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (s)-

67. 5-18-05-00218 (beilstein Handbook Reference)

68. 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-((6-o-alpha-l-rhamnopyranosyl-beta-d-glucopyranosyl)oxy)-4-chromanon

69. 7-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4h-1-benzopyran-4-one, (s)-

70. 7-(6-o-desoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanon

71. Cid_10621

72. Hesperidin, Analytical Standard

73. Bpbio1_000681

74. Chembl449317

75. Ndi 590 [fdms]

76. Dtxsid9044328

77. Bcbcmap01_000136

78. Bdbm61776

79. 2h-pyran-2-yloxy)chroman-4-one

80. Hms2096o21

81. Hms2233i03

82. Hms3713o21

83. Zinc8143568

84. Tox21_110448

85. S2309

86. Akos015895450

87. Ccg-208580

88. Cs-5631

89. Db04703

90. Ks-5308

91. Smp1_000149

92. Ncgc00179501-01

93. 4h-1-benzopyran-4-one, 7-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2s)-

94. Hy-15337

95. Ab00513829

96. H0049

97. C09755

98. D01038

99. (s)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-

100. Q385937

101. Hesperidin, Primary Pharmaceutical Reference Standard

102. Methyltetrahydro-2h-pyran-2-yloxy)methyl)tetrahydro-

103. Sr-01000799145-4

104. Sr-01000799145-5

105. Sr-01000799145-7

106. 7-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-

107. Brd-k38903228-001-02-8

108. Brd-k38903228-001-13-5

109. Hesperidin, European Pharmacopoeia (ep) Reference Standard

110. 3',5'-dihydroxy-4'-methoxy-7-rutinosyloxyflavan-4-one

111. Hesperetin 7-(6-o-alpha-l-rhamnopyranosyl)-beta-d-glucopyranoside

112. Hesperidin, Pharmaceutical Secondary Standard; Certified Reference Material

113. Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-o-alpha-l-rhamnosyl-d-glucoside)

114. (2s)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r,5r,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2,3-dihydrochromen-4-one

115. (2s)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-3,4-dihydro-2h-1-benzopyran-4-one

116. (2s)-7-((6-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4h-1-benzopyran-4-one

117. (s)-7-[[6-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4h-1-benzopyran-4-one

118. 4h-1-benzopyran-4-one, 7-((6-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl)oxy)-2,3-dihydo-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (s)-

119. 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-((6-o-.alpha.-l-rhamnopyranosyl-.beta.-d-glucopyranosyl)oxy)-4-chromanon

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 610.6 g/mol
Molecular Formula C28H34O15
XLogP3-1.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass610.18977037 g/mol
Monoisotopic Mass610.18977037 g/mol
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

API Reference Price

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CHINA Chengdu, , Ch China","customerAddress":"SURVEY NO198\/2 & 198\/3,CHANCHARWAD"}]
29-Jan-2021
30-Sep-2024
KGS
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Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

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