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Synopsis

Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 18642-44-9, I14qo4lw9v, Chebi:70241, [(1s,1'r,2s,3'r,4r,4'r,5r,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate, Unii-i14qo4lw9v, Actein, hplc grade
Molecular Formula
C37H56O11
Molecular Weight
676.8  g/mol
InChI Key
NEWMWGLPJQHSSQ-PSDKAYTQSA-N
FDA UNII
I14QO4LW9V

Actein
actein is a natural product found in Actaea elata, Actaea europaea, and other organisms with data available.
1 2D Structure

Actein

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(1S,1'R,2S,3'R,4R,4'R,5R,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
2.1.2 InChI
InChI=1S/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29-,30+,32+,33-,34+,35-,36+,37-/m1/s1
2.1.3 InChI Key
NEWMWGLPJQHSSQ-PSDKAYTQSA-N
2.1.4 Canonical SMILES
CC1CC2(C3C(O3)(C(O2)O)C)OC4C1C5(C(CC67CC68CCC(C(C8CCC7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C
2.1.5 Isomeric SMILES
C[C@@H]1C[C@@]2([C@H]3[C@](O3)([C@H](O2)O)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC[C@H]7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C
2.2 Other Identifiers
2.2.1 UNII
I14QO4LW9V
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 18642-44-9

2. I14qo4lw9v

3. Chebi:70241

4. [(1s,1'r,2s,3'r,4r,4'r,5r,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] Acetate

5. Unii-i14qo4lw9v

6. Actein, Hplc Grade

7. Actein [usp-rs]

8. Actein [who-dd]

9. 26s-actein

10. Actein, (-)-

11. Megxp0_000289

12. Chembl3391990

13. Dtxsid7033153

14. Schembl12311788

15. Acon0_000183

16. Acon1_001879

17. Hy-n6872

18. Mfcd25371991

19. Zinc95627840

20. Akos032962095

21. Ncgc00180046-01

22. Cs-0082050

23. Brd-k55497146-001-01-0

24. Q27138579

25. 26s-actein (constituent Of Black Cohosh) [dsc]

26. Actein, United States Pharmacopeia (usp) Reference Standard

27. .beta.-d-xylopyranoside, (3.beta.,12.beta.,16.beta.,23r,24r,25s,26s)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanostan-3-yl

28. [(1'r,3'r,4'r,5'r,6'r,12's,13's,16'r,18's,21'r)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] Acetate

29. B-d-xylopyranoside,(3b,12b,16b,23r,24r,25s,26s)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanostan-3-yl

30. Beta-d-xylopyranoside, (3beta,12beta)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cycloanostan-3-yl

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 676.8 g/mol
Molecular Formula C37H56O11
XLogP33.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass676.38226260 g/mol
Monoisotopic Mass676.38226260 g/mol
Topological Polar Surface Area157 Ų
Heavy Atom Count48
Formal Charge0
Complexity1390
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

REF. STANDARDS & IMPURITIES

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ABOUT THIS PAGE

Actein Manufacturers

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

Actein Suppliers

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

Actein GMP

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

Actein CoA

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

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

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