benzoylaconine

Basic Information

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CAS Number

466-24-0

Molecular Formula

C32H45NO10

Molecular Weight

603.7 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

130°C

Boiling Point

652.37°C (rough estimate)

Solubility

Methanol,Chloroform,Acetontrile

Refractive Index

1.6310 (estimate)

SMILES

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COC[C@@]12CN(CC)C3C4([C@@H]2[C@@H](OC)C3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)O)[C@H](C[C@H]1O)OC

InChI

InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17-,18-,19+,20-,21?,22+,23-,24?,25+,26-,27+,29+,30-,31?,32-/m1/s1

InChIKey

DHJXZSFKLJCHLH-KOBDZNBMSA-N

LogP

0.07730000000000353

Topological Polar Surface Area

147.38 Å²

Hydrogen Bond Donor/Acceptor

4 / 11

Complexity

1100

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

(15S,16S)-20-Ethyl-1α,6α,16-trimethoxy-4-(methoxymethyl)aconitane-3α,8,13,14α,15-pentol 14-benzoate
20-Ethyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitane-3α,8,13,14α,15α-pentol 14-benzoate
Aconitane-3,8,13,14,15-pentol,20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-benzoate, (1a,...
Benzoylaconitine
14-Benzoylaconine
14-O-Benzoylaconine
8-O-deacetylaconitine
Aconine 14-benzoate
enzoylaconitine
Isaconitine
Picraconitine
Pikraconitin
Benzaconine
Benzoylaconine
(1alpha,3alpha,6alpha,14alpha,15alpha,16beta)20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol
苯甲酰乌头碱
A14593
[(1S,2R,3R,4S,5R,6R,7S,8R,10S,13R,14R,16S,17S,18R)-11-Ethyl-5,7,8,14-tetrahydroxy-6,16,18-trimethoxy
14-Benzoylaconine,14-O-Benzoylaconine,Aconine 14-benzoate,Benzaconine,Isaconitine,Pikraconitin

MDL Number

MFCD01704309

FAQ

What regulatory guidelines apply to benzoylaconine (CAS: 466-24-0)?

Benzoylaconine (CAS: 466-24-0) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements for chemical substances. It is important to comply with local and international regulations to ensure safe handling and use.

Are there alternatives to benzoylaconine (CAS: 466-24-0) in synthesis?

Alternatives to benzoylaconine (CAS: 466-24-0) in synthesis include other natural products with similar structures, such as isomers and analogs. Common alternative reagents include benzoyl chloride and other acylating agents. Consulting with a chemist can help determine the most suitable substitute for your specific application.

What is the market or research trend for benzoylaconine (CAS: 466-24-0)?

The market and research trends for benzoylaconine (CAS: 466-24-0) are focused on its potential applications in natural product chemistry and pharmaceutical research. Recent studies are exploring its bioactivity and uses in drug development. Market demand is expected to grow as more applications are discovered.

How should waste containing benzoylaconine (CAS: 466-24-0) be handled?

Waste containing benzoylaconine (CAS: 466-24-0) should be disposed of according to local regulations. Collection of waste liquids should be done in appropriate containers, and the waste should be incinerated or disposed of through professional waste disposal services to minimize environmental impact. Proper personal protective equipment and safety precautions are essential during handling and disposal.