(3beta,5alpha,8xi,11alpha,12beta,14beta,17alpha)-12-Acetoxy-3-{[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-alpha-D-arabino-hexopyranosyl]oxy}-20-oxo-8,14-epoxypregnan-11-yl 2 -methylpropanoate

Basic Information

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CAS Number

1260252-18-3

Molecular Formula

C41H64O14

Molecular Weight

780.95 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

Physical State

Powder

SMILES

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C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H](C[C@H]2OC)O[C@H]3CC[C@]4([C@H](C3)CCC56[C@@H]4[C@@H]([C@H]([C@]7([C@]5(O6)CC[C@H]7C(=O)C)C)OC(=O)C)OC(=O)C(C)C)C)C)O)OC)O

InChI

InChI=1S/C41H64O14/c1-19(2)36(46)53-33-34-38(7)14-12-25(52-28-18-27(47-9)31(22(5)49-28)54-37-30(45)32(48-10)29(44)21(4)50-37)17-24(38)11-15-40(34)41(55-40)16-13-26(20(3)42)39(41,8)35(33)51-23(6)43/h19,21-22,24-35,37,44-45H,11-18H2,1-10H3/t21-,22-,24+,25+,26+,27-,28-,29-,30-,31-,32-,33+,34-,35-,37+,38+,39+,40?,41-/m1/s1

InChIKey

DAXMBTMYJCYTRG-QTIQCLJLSA-N

LogP

3.6309000000000045

Topological Polar Surface Area

178.04 Å²

Hydrogen Bond Donor/Acceptor

2 / 14

Complexity

1470

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

(3β,5α,11α,12β,14β,17α)-12-acetyloxy-3-[(2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-β-D-allopyranosyl)-3-O-methyl-β-D-arabino-hexopyranosyl)oxy]-20-oxo-8,14-epoxypregnan-11-yl isobutyrate
Tenacigenin B, 3-O-Beta-Allopyranosyl-(1→4)-Beta-oleandropyranosyl-11-O-isobutyryl-12-O-acetyl-
3-O-beta-Allopyranosyl-(1->4)-beta-oleandropyranosyl-11-O-isobutyryl-12-O-acetyltenacigenin B
3-O-
A-Allopyranosyl-(1 inverted exclamation marku4)-
3-O-|A-Allopyranosyl-(1 inverted exclamation marku4)-|A-oleandropyranosyl-11-O-isobutyryl-12-O-acety
1→4-β-oleandropyranosyl-11-O-isobutyryl-12-O-acetyltenacigenin B

MDL Number

MFCD28964250

FAQ

What regulatory guidelines apply to (3beta,5alpha,8xi,11alpha,12beta,14beta,17alpha)-12-Acetoxy-3-{[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-alpha-D-arabino-hexopyranosyl]oxy}-20-oxo-8,14-epoxypregnan-11-yl 2-methylpropanoate (CAS: 1260252-18-3)?

This compound is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is important to follow these guidelines for proper handling and storage to ensure safety and compliance. Detailed guidelines can be found in the respective regulatory documents.

Are there alternatives to (3beta,5alpha,8xi,11alpha,12beta,14beta,17alpha)-12-Acetoxy-3-{[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-alpha-D-arabino-hexopyranosyl]oxy}-20-oxo-8,14-epoxypregnan-11-yl 2-methylpropanoate (CAS: 1260252-18-3) in synthesis?

Several alternatives can be used in the synthesis of this compound, including various reagents such as isomers, analogs, and common alternatives. These include methyl esters, ethyl esters, and other related compounds that serve similar functions in biological and chemical processes.

What is the market or research trend for (3beta,5alpha,8xi,11alpha,12beta,14beta,17alpha)-12-Acetoxy-3-{[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-alpha-D-arabino-hexopyranosyl]oxy}-20-oxo-8,14-epoxypregnan-11-yl 2-methylpropanoate (CAS: 1260252-18-3)?

The research and market trends for this compound are currently driven by its potential applications in pharmaceuticals and biotechnology. Recent studies focus on its biological activities and therapeutic potentials. However, due to its complexity, there is ongoing research to develop more efficient and sustainable synthesis methods.

How should waste containing (3beta,5alpha,8xi,11alpha,12beta,14beta,17alpha)-12-Acetoxy-3-{[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-alpha-D-arabino-hexopyranosyl]oxy}-20-oxo-8,14-epoxypregnan-11-yl 2-methylpropanoate (CAS: 1260252-18-3) be handled?

Waste containing this compound should be handled by collecting it in appropriate containers and disposing of it through professional waste disposal services. Incineration is a common method, but environmental protection precautions should be taken to minimize environmental impact. Compliance with local and international environmental regulations is essential.

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(3beta,5alpha,8xi,11alpha,12beta,14beta,17alpha)-12-Acetoxy-3-{[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-alpha-D-arabino-hexopyranosyl]oxy}-20-oxo-8,14-epoxypregnan-11-yl 2 -methylpropanoate | CAS No. 1260252-18-3

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Physical State

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Storage Conditions

Synonyms & References

English

MDL Number

FAQ

What regulatory guidelines apply to (3beta,5alpha,8xi,11alpha,12beta,14beta,17alpha)-12-Acetoxy-3-{[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-alpha-D-arabino-hexopyranosyl]oxy}-20-oxo-8,14-epoxypregnan-11-yl 2-methylpropanoate (CAS: 1260252-18-3)?

Are there alternatives to (3beta,5alpha,8xi,11alpha,12beta,14beta,17alpha)-12-Acetoxy-3-{[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-alpha-D-arabino-hexopyranosyl]oxy}-20-oxo-8,14-epoxypregnan-11-yl 2-methylpropanoate (CAS: 1260252-18-3) in synthesis?

What is the market or research trend for (3beta,5alpha,8xi,11alpha,12beta,14beta,17alpha)-12-Acetoxy-3-{[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-alpha-D-arabino-hexopyranosyl]oxy}-20-oxo-8,14-epoxypregnan-11-yl 2-methylpropanoate (CAS: 1260252-18-3)?

How should waste containing (3beta,5alpha,8xi,11alpha,12beta,14beta,17alpha)-12-Acetoxy-3-{[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-alpha-D-arabino-hexopyranosyl]oxy}-20-oxo-8,14-epoxypregnan-11-yl 2-methylpropanoate (CAS: 1260252-18-3) be handled?

Related Compounds

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