(1alpha,6beta,14alpha,16beta)-20-Ethyl-6,14,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,8-triol

Basic Information

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CAS Number

509-18-2

Molecular Formula

C25H41NO7

Molecular Weight

467.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

White powder

Melting Point

214 ºC

Boiling Point

576°C at 760 mmHg

Flash Point

302.1°C

Refractive Index

1.595

Specific Rotation

D22 +53.4° (c = 2.04 in chloroform)

SMILES

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CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H](C([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)O)COC

InChI

InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1

InChIKey

JVBLTQQBEQQLEV-DIZROUMASA-N

LogP

0.2710000000000021

Topological Polar Surface Area

100.85000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

814

Synonyms & References

English

Belsoline
Delsoline
20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)aconitane-1,8,14-triol
Bullatine-B
Dideacetyldelphisine
Xuan-Wu 3
18-O-Methylgigactonine
Acomonine
Delsoline Acomonine
(2R,3R,4S,5R,6S,8R,13S,16S,17R,18S)-11-Ethyl-4,6,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.
MLS002153949
C25H41NO7
Prestwick3_000679
BSPBio_000777
14-O-Methyldelcosine
BPBio1_000855
HMS2097G19
HMS2235N24
18-O-Methylgigactonine; Acomonine
SMR001233288
AB00513887
Y0036
C08678

MDL Number

MFCD00274545

FAQ

What regulatory guidelines apply to (1alpha,6beta,14alpha,16beta)-20-Ethyl-6,14,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,8-triol (CAS: 509-18-2)?

The compound (1alpha,6beta,14alpha,16beta)-20-Ethyl-6,14,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,8-triol (CAS 509-18-2) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA related requirements. It is recommended to consult the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for specific handling and disposal guidelines. Additionally, local and national regulations may apply, so it is crucial to comply with all applicable rules and guidelines.

Are there alternatives to (1alpha,6beta,14alpha,16beta)-20-Ethyl-6,14,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,8-triol (CAS: 509-18-2) in synthesis?

There are several alternatives to (1alpha,6beta,14alpha,16beta)-20-Ethyl-6,14,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,8-triol (CAS 509-18-2) in synthesis, including its structural analogs and isomers. Common alternative reagents include similar aconitane derivatives and other polyol compounds. These alternatives can offer similar reactivity profiles or different functionalities, depending on the specific application requirements.

What is the market or research trend for (1alpha,6beta,14alpha,16beta)-20-Ethyl-6,14,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,8-triol (CAS: 509-18-2)?

The market trend for (1alpha,6beta,14alpha,16beta)-20-Ethyl-6,14,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,8-triol (CAS 509-18-2) is predominantly driven by its applications in pharmaceuticals and natural product chemistry. Research is ongoing, exploring its potential in drug discovery and development. Emerging trends include its use in synthesizing new bioactive compounds and its role in understanding plant secondary metabolism. Market demand is likely to increase as more applications are discovered, particularly in the pharmaceutical and biotech industries.

How should waste containing (1alpha,6beta,14alpha,16beta)-20-Ethyl-6,14,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,8-triol (CAS: 509-18-2) be handled?

Waste containing (1alpha,6beta,14alpha,16beta)-20-Ethyl-6,14,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,8-triol (CAS 509-18-2) should be collected and disposed of according to local and national waste management regulations. Typically, this involves segregating the waste, ensuring proper containment, and using appropriate packaging to prevent spillage. Waste should be handled by professional waste disposal services for incineration or other environmentally safe disposal methods. It is essential to follow all safety guidelines and environmental protection measures to ensure the compound is disposed of safely and responsibly.