Withanolide A | CAS No. 32911-62-9

Withanolide A

Basic Information

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CAS Number

32911-62-9

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

305 ºC (dec.)

Solubility

methanol: soluble1mg/mL, clear, colorless

SMILES

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CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)O)C

InChI

InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1

InChIKey

DXWHOKCXBGLTMQ-SFQAJKIESA-N

LogP

3.4954000000000027

Topological Polar Surface Area

96.36000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

1030

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

CHEMBL445041
DTXSID70461487
E87198
XW164988
WITHANOLIDE A [USP-RS]
UNII-V903234S8G
Withanolide A, (+)-
HY-N7028
AKOS040760756
WITHANOLIDE A(P)
withanolide A
Withanolide A, analytical standard
MS-28704
(5alpha,6alpha,7alpha,22R)-5,20-Dihydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,26-dione
(1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
Q27291676
CS-0068468
CHEBI:175683
32911-62-9
V903234S8G
Withanolide A, United States Pharmacopeia (USP) Reference Standard
Withanolide A, >=95% (HPLC)
15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.0^{2,4}.0^{5,10}.0^{14,18}]octadec-7-en-9-one
15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
(5.ALPHA.,6.ALPHA.,7.ALPHA.,22R)-5,20-DIHYDROXY-6,7:22,26-DIEPOXYERGOSTA-2,24-DIENE-1,26-DIONE
Withanolide A
Ergosta-2,24-dien-26-oicacid, 6,7-epoxy-5,20,22-trihydroxy-1-oxo-, d-lactone, (5a,6a,7a,22R)-
WITHANOLIDE A(SH)
A,6
A,7
A-lactone

MDL Number

MFCD07779143

FAQ

What regulatory guidelines apply to Withanolide A (CAS: 32911-62-9)?

Withanolide A (CAS: 32911-62-9) falls under various regulatory guidelines depending on its intended use. It is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), requiring appropriate hazard classification. In the European Union, it is subject to the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulation. For use in the United States, it may be required to meet FDA and EPA regulations, particularly if used in pharmaceutical or agricultural applications.

Are there alternatives to Withanolide A (CAS: 32911-62-9) in synthesis?

Alternative compounds to Withanolide A (CAS: 32911-62-9) in synthesis include withaferin A and withanolide B. These analogs can serve similar biological functions and may be used as substitutes depending on the desired properties and the specific application. Common alternative reagents in the synthesis of similar compounds include various alcohols, acids, and aldehydes.

What is the market or research trend for Withanolide A (CAS: 32911-62-9)?

The market for Withanolide A (CAS: 32911-62-9) is growing due to its potential therapeutic applications, particularly in the treatment of cancer and inflammation. Research trends are focused on understanding its mechanisms of action and developing it as a drug candidate. Market trends show an increasing demand for natural products with potent biological activities, and Withanolide A is a promising compound in this regard.

How should waste containing Withanolide A (CAS: 32911-62-9) be handled?

Waste containing Withanolide A (CAS: 32911-62-9) should be collected in suitable containers and disposed of according to local regulations. For hazardous waste, incineration is a common method, but professional disposal services may be necessary. Environmental protection precautions include ensuring no release into the environment and using protective gear during handling. It is advisable to consult with environmental safety officers for proper disposal methods and to ensure compliance with regulatory requirements.