Pectenotoxin 1; 43-Carboxylic acid

Basic Information

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CAS Number

124843-18-1

Molecular Formula

C47H68O16

Molecular Weight

889.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)C(O)=O)O4)C1O

InChI

InChI=1S/C47H68O16/c1-25-9-10-31-33(21-36(56-31)47(54)38(49)27(3)13-19-55-47)57-40(51)28(4)30-8-7-14-45(58-30)16-11-32(59-45)39(50)43(6)23-29(48)37(62-43)34-24-44(41(52)53)17-18-46(60-34,63-44)35-12-15-42(5,61-35)22-26(2)20-25/h9-10,20,26-28,30-39,49-50,54H,7-8,11-19,21-24H2,1-6H3,(H,52,53)/b10-9+,25-20+

InChIKey

IJSPTHZVVHPQQN-NHXXOZDJSA-N

LogP

4.31870

Topological Polar Surface Area

215.19999999999993 Å²

Hydrogen Bond Donor/Acceptor

4 / 16

Complexity

1860

Synonyms & References

English

PECTIN(FROMAPPLE)
Pectenotoxin 1, 18-carboxy-18-de(hydroxymethyl)-
Pectenotoxin 6
Apple pectin
7,11:11,14:16,19:20,25:22,25:26,29-Hexaepoxy-12H-furo[3,2-b]oxacyclotetratriacontin-22(13H)-carboxylic acid, 2,3,3a,5,6,7,8,9,10,14,15,16,17,18,19,20,21,23,24,26,27,28,29,30,31,35a-hexacosahydro-15-hydroxy-6,16,29,31,33-pentamethyl-5,18-dioxo-2-[(2S,3R,4R)-tetrahydro-2,3-dihydroxy-4-methyl-2H-pyran-...
PECTIN(FROMAPPLE) USP/BP/EP

FAQ

What regulatory guidelines apply to Pectenotoxin 1 (CAS: 124843-18-1)?

Pectenotoxin 1 (CAS: 124843-18-1) is subject to various regulatory guidelines including the Classification, Labelling, and Packaging (CLP) Directive of the European Union, and the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). Additionally, it falls under the scope of the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulation in Europe. In the USA, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) also have regulations applicable to the handling, storage, and disposal of this compound.

Are there alternatives to Pectenotoxin 1 (CAS: 124843-18-1) in synthesis?

Alternatives to Pectenotoxin 1 (CAS: 124843-18-1) in synthesis include other pectenotoxins and related analogs that can serve similar functions in research and applications. Common alternative reagents such as 43-carboxylic acid derivatives, other polyether macrocyclic compounds, and natural product extracts can be used as substitutes in certain synthetic pathways. These alternatives can offer similar biological activities or serve as starting materials for further modifications.

What is the market or research trend for Pectenotoxin 1 (CAS: 124843-18-1)?

The market and research trend for Pectenotoxin 1 (CAS: 124843-18-1) is focused on its potential as a marine toxin with applications in neuropharmacology, marine biology, and toxicology. Recent studies are exploring the synergistic effects of pectenotoxins with other marine toxins and their use as models for understanding neurotoxicity. Additionally, there is growing interest in the development of new technologies for detoxification and removal of pectenotoxins from seafood and water sources.

How should waste containing Pectenotoxin 1 (CAS: 124843-18-1) be handled?

Waste containing Pectenotoxin 1 (CAS: 124843-18-1) should be handled according to strict environmental protection guidelines. Collection should be done in leak-proof containers, and the waste should be incinerated or professionally disposed of by a certified chemical waste management company. Proper precautions include the use of personal protective equipment (PPE) and following all local, state, and federal regulations. It is also important to ensure that the waste is neutralized before disposal to minimize environmental impact.