Withaferin A | CAS No. 5119-48-2

Withaferin A

Basic Information

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CAS Number

5119-48-2

Molecular Formula

C28H38O6

Molecular Weight

470.61 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

Melting Point

252-253 °C

Boiling Point

680.7±55.0 °C at 760 mmHg

Solubility

Methanol,Acetontrile,DMSO,DMF

Refractive Index

1.599

Vapor Pressure

0.0±4.8 mmHg at 25°C

Specific Rotation

D28 +125° (c = 1.30 in CHCl3)

SMILES

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C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1

InChI

InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1

InChIKey

DBRXOUCRJQVYJQ-CKNDUULBSA-N

LogP

3.352900000000002

Topological Polar Surface Area

96.36 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

999

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-
Withaferin A
Deuterated Withaferin A
Withaferin A Standard
WITHAFERIN A, PRIMARY STANDARD
5,6-Epoxy-4,27-dihydroxy-1-oxowitha-2,24-dienolide,Withaferine A
5,6-Epoxy-4,27-dihydroxy-1-oxowitha-2,24-dienolide
Withaferine A
Withaferine
NSC 101088
NSC 273757
WITHAFERIN DERIV JPR, IOWA U. COMPOUND
L6DO3QW4K5
Ashwagandha
NSC101088
Ashwagandha Root Extract
4β,5β,6β,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxo-ergosta-2,24-dien-26-oic acid δ-lactone

MDL Number

MFCD10687098

FAQ

What is Withaferin A (CAS: 5119-48-2)?

Withaferin A is a naturally occurring diterpenoid lactone found in the withania plants, primarily withania somnifera. It has a chemical formula of C34H48O3 and exhibits various biological activities, including anti-inflammatory, antitumor, and immunomodulatory properties.

What are the main uses of Withaferin A (CAS: 5119-48-2)?

Withaferin A is primarily used in pharmaceutical research for its potential anticancer and immunomodulatory properties. It is also studied for its role in managing stress and inflammation. Additionally, it has some applications in cosmetics and dietary supplements.

Is Withaferin A (CAS: 5119-48-2) safe?

Withaferin A generally has a good safety profile, but it is essential to follow proper handling and processing guidelines. Users should be aware of potential side effects, especially in high doses, and should consult with healthcare professionals before use. Prolonged exposure to sunlight and other sources of light should be avoided to minimize photo-toxicity risks.

How should Withaferin A (CAS: 5119-48-2) be stored?

Withaferin A should be stored in a cool, dry place away from direct sunlight and other sources of light. Optimal storage conditions include a temperature range of 15-25°C (59-77°F) and a relative humidity below 50%. It should be kept in a tightly sealed container to prevent degradation and contamination.