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Chemistry

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Also known as: 472-15-1, Betulic acid, Mairin, Lupatic acid, Als-357, C30h48o3
Molecular Formula
C30H48O3
Molecular Weight
456.7  g/mol
InChI Key
QGJZLNKBHJESQX-FZFNOLFKSA-N
FDA UNII
4G6A18707N

Betulinic Acid
A lupane-type triterpene derivative of betulin which was originally isolated from BETULA or birch tree. It has anti-inflammatory, anti-HIV and antineoplastic activities.
1 2D Structure

Betulinic Acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
2.1.2 InChI
InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
2.1.3 InChI Key
QGJZLNKBHJESQX-FZFNOLFKSA-N
2.1.4 Canonical SMILES
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
2.1.5 Isomeric SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
4G6A18707N
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3 Epi Betulinic Acid

2. 3-epi-betulinic Acid

3. 3-hydroxy-lup-20(29)-en-28-oic Acid

4. 3-hydroxylup-20(29)-en-28-oic Acid

5. Betulic Acid

2.3.2 Depositor-Supplied Synonyms

1. 472-15-1

2. Betulic Acid

3. Mairin

4. Lupatic Acid

5. Als-357

6. C30h48o3

7. 3beta-hydroxy-20(29)-lupaene-28-oic Acid

8. 3-hydroxylup-20(29)-en-28-oic Acid

9. .beta.-betulinic Acid

10. Nsc677578

11. Nsc-677578

12. Chebi:3087

13. Chembl269277

14. 3beta-hydroxy-lup-20(29)-en-28-oic Acid

15. 4g6a18707n

16. Nsc-113090

17. (3beta)-3-hydroxylup-20(29)-en-28-oic Acid

18. (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1h-cyclopenta[a]chrysene-3a-carboxylic Acid

19. (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic Acid

20. Gratiolone

21. (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic Acid

22. Smr000445624

23. Nsc 113090

24. Ccris 6748

25. Einecs 207-448-8

26. Nsc 677578

27. Melaleucin

28. Platanol

29. Betulinic-acid

30. Platanolic Acid

31. Unii-4g6a18707n

32. Prestwick_95

33. Beta-betulinic Acid

34. Mfcd00009619

35. Betulinic Acid, 24

36. Lup-20(29)-en-28-oic Acid, 3-hydroxy-, (3beta)-

37. Prestwick0_000417

38. Prestwick1_000417

39. Prestwick2_000417

40. Prestwick3_000417

41. Lup-20(29)-en-28-oic Acid, 3beta-hydroxy-

42. Betulinic Acid [mi]

43. Lup-20(29)-en-28-oic Acid, 3-hydroxy-, (3.beta.)-

44. Schembl61767

45. Bspbio_000374

46. Bspbio_001587

47. Cid_64971

48. Mls000728510

49. Mls006011257

50. Betulinic Acid [inci]

51. Spbio_002313

52. Bpbio1_000412

53. Gtpl3945

54. Bdbm23208

55. Dtxsid80861974

56. Hms1569c16

57. Hms1791p09

58. Hms1989p09

59. Hms2096c16

60. Hms2232k03

61. Hms3402p09

62. Betulinic Acid, Analytical Standard

63. Betulinic Acid, >=98% (hplc)

64. Zinc4097714

65. S3603

66. Stl570261

67. Akos015920276

68. Betulinic Acid, Technical Grade, 90%

69. Ccg-208159

70. Cs-1216

71. Db12480

72. Lmpr0106140004

73. Rl9-080

74. Smp2_000205

75. Ncgc00163409-02

76. Ncgc00163409-03

77. Bp-25391

78. Ds-15257

79. Hy-10529

80. 3beta-hydroxylup-20(29)-en-28-oic Acid

81. N1343

82. C08619

83. Lup-20(29)-en-28-oic Acid, 3beta -hydroxy-

84. 3-hydroxy-(3beta)-lup-20(29)-en-28-oic Acid

85. 472b151

86. Q384111

87. Sr-01000779609

88. Q-100500

89. Sr-01000779609-3

90. (+)-(3?)-3-hydroxylup-20(29)-en-28-oic Acid

91. Brd-k45401373-001-05-0

92. Brd-k45401373-001-22-5

93. Lup-20(29)-en-28-oic Acid, 3-hydroxy-, 3 Beta

94. (3.beta.)-3-hydroxylup-20(29)-en-28-oic Acid

95. (1r,2r,5s,8r,9r,10r,13r,14r,17s,19r)-17-hydroxy-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane-5-carboxylic Acid

96. (1r,3 As,5ar,5br,7ar,9s,11ar,11br,13 Ar,13br)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1h-cyclopenta[a]chrysene-3a-carboxylic Acid

97. (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-eicosahydro-cyclopenta[a]chrysene-3a-carboxylic Acid

98. (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1h-cyclopenta[a]chrysene-3a-carboxylicacid

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 456.7 g/mol
Molecular Formula C30H48O3
XLogP38.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass456.36034539 g/mol
Monoisotopic Mass456.36034539 g/mol
Topological Polar Surface Area57.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity861
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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API | Excipient name

Betulinic Acid

Synonyms

472-15-1, Betulic acid, Mairin, Lupatic acid, Als-357, C30h48o3

Cas Number

472-15-1

Unique Ingredient Identifier (UNII)

4G6A18707N

About Betulinic Acid

A lupane-type triterpene derivative of betulin which was originally isolated from BETULA or birch tree. It has anti-inflammatory, anti-HIV and antineoplastic activities.

Betulinic Acid Manufacturers

A Betulinic Acid manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Betulinic Acid, including repackagers and relabelers. The FDA regulates Betulinic Acid manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Betulinic Acid API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Betulinic Acid Suppliers

A Betulinic Acid supplier is an individual or a company that provides Betulinic Acid active pharmaceutical ingredient (API) or Betulinic Acid finished formulations upon request. The Betulinic Acid suppliers may include Betulinic Acid API manufacturers, exporters, distributors and traders.

Betulinic Acid GMP

Betulinic Acid Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Betulinic Acid GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Betulinic Acid GMP manufacturer or Betulinic Acid GMP API supplier for your needs.

Betulinic Acid CoA

A Betulinic Acid CoA (Certificate of Analysis) is a formal document that attests to Betulinic Acid's compliance with Betulinic Acid specifications and serves as a tool for batch-level quality control.

Betulinic Acid CoA mostly includes findings from lab analyses of a specific batch. For each Betulinic Acid CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Betulinic Acid may be tested according to a variety of international standards, such as European Pharmacopoeia (Betulinic Acid EP), Betulinic Acid JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Betulinic Acid USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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