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Chemistry

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Also known as: Aescin, 26339-90-2, Escini b, Beta-escin, Chebi:2500, Qyk0d6h79o
Molecular Formula
C55H86O24
Molecular Weight
1131.3  g/mol
InChI Key
AXNVHPCVMSNXNP-OXPBSUTMSA-N
FDA UNII
QYK0D6H79O

Aescin
-escin is a natural product found in Aesculus chinensis, Aesculus hippocastanum, and other organisms with data available.
1 2D Structure

Aescin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
2.1.2 InChI
InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1
2.1.3 InChI Key
AXNVHPCVMSNXNP-OXPBSUTMSA-N
2.1.4 Canonical SMILES
CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C
2.1.5 Isomeric SMILES
C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C
2.2 Other Identifiers
2.2.1 UNII
QYK0D6H79O
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Escin-iib

2.3.2 Depositor-Supplied Synonyms

1. Aescin

2. 26339-90-2

3. Escini B

4. Beta-escin

5. Chebi:2500

6. Qyk0d6h79o

7. Flogencyl

8. Beta-aescin

9. Aescin Ib

10. Aescin B

11. .beta.-escin

12. Aescin Ib(sh)

13. 6805-41-0

14. Unii-qyk0d6h79o

15. Escine Ib

16. Escin-ib

17. Escinib

18. Nsc-758653

19. Aescine (dcf)

20. Einecs 247-619-4

21. Reparil (tn)

22. .beta.-aescin

23. .beta.-escin [mi]

24. Chembl505939

25. Dtxsid601026279

26. Escin .beta.-escin [mi]

27. Hy-n0555

28. Bdbm50466108

29. Mfcd10566622

30. Beta-d-glucopyranosiduronic Acid, (3beta,16alpha,21beta(z),22alpha)-22-(acetyloxy)-16,24,28-trihydroxy-21-((2-methyl-1-oxo-2-butenyl)oxy)olean-12-en-3-yl O-beta-d-glucopyranosyl-(1.2)-o-(beta-d-glucopyranosyl-(1.4))-

31. Cs-0009082

32. N2164

33. C08921

34. D07912

35. 339e902

36. Q27895506

37. Escin Ib (constituent Of Horse Chestnut) [dsc]

38. .beta.-d-glucopyranosiduronic Acid, (3.beta.,4.beta.,16.alpha.,21.beta.,22.alpha.)-22-(acetyloxy)-16,23,28-trihydroxy-21-(((2z)-2-methyl-1-oxo-2-buten-1-yl)oxy)olean-12-en-3-yl O-.beta.-d-glucopyranosyl-(1->2)-o-(.beta.-d-glucopyranosyl-(1->4))-

39. 2-butenoic Acid, 2-methyl-, (3.beta.,4.beta.,16.alpha.,21.beta.,22.alpha.)-22-(acetyloxy)-3-[[o-.beta.-d-glucopyranosyl-(1->2)-o-[.beta.-d-glucopyranosyl-(1->4)]-.beta.-d-glucopyranuronosyl]oxy]-16,23,28-trihydroxyolean-12-en-21-yl Ester, (2z)-

2.4 Create Date
2006-04-29
3 Chemical and Physical Properties
Molecular Weight 1131.3 g/mol
Molecular Formula C55H86O24
XLogP30.7
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count24
Rotatable Bond Count16
Exact Mass1130.55090361 g/mol
Monoisotopic Mass1130.55090361 g/mol
Topological Polar Surface Area388 Ų
Heavy Atom Count79
Formal Charge0
Complexity2300
Isotope Atom Count0
Defined Atom Stereocenter Count27
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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21-Jan-2021
27-Nov-2024
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Looking for 26339-90-2 / Aescin API manufacturers, exporters & distributors?

Aescin manufacturers, exporters & distributors 1

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

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Aescin manufacturer or Aescin supplier.

PharmaCompass also assists you with knowing the Aescin API Price utilized in the formulation of products. Aescin API Price is not always fixed or binding as the Aescin Price is obtained through a variety of data sources. The Aescin Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Aescin

Synonyms

26339-90-2, Escini b, Beta-escin, Chebi:2500, Qyk0d6h79o, Flogencyl

Cas Number

26339-90-2

Unique Ingredient Identifier (UNII)

QYK0D6H79O

About Aescin

-escin is a natural product found in Aesculus chinensis, Aesculus hippocastanum, and other organisms with data available.

Aescin Manufacturers

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

click here to find a list of Aescin manufacturers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PhamaCompass.

Aescin Suppliers

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

click here to find a list of Aescin suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Aescin GMP

Aescin 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 Aescin 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 Aescin GMP manufacturer or Aescin GMP API supplier for your needs.

Aescin CoA

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

Aescin CoA mostly includes findings from lab analyses of a specific batch. For each Aescin 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.

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