(3alpha)-3-Acetoxy-11-oxours-12-en-24-oic acid

Basic Information

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CAS Number

67416-61-9

Molecular Formula

C32H48O5

Molecular Weight

512.73 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

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Boiling Point

600.3 ℃ at 760 mmHg

Solubility

Methanol; Ethyl Acetate

SMILES

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CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C

InChI

InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1

InChIKey

HMMGKOVEOFBCAU-BCDBGHSCSA-N

LogP

6.839300000000008

Topological Polar Surface Area

80.67000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

1060

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

SCHEMBL23610472
3-Acetyl-11-keto-?-boswellic Acid
CCG-269792
3-Acetyl-11-keto-.beta.-boswellic acid
Acetyl-11-keto-beta-boswellic acid
Curator_000001
3-Acetyl-11-keto-ss-boswellic acid
3alpha-acetoxy-11-keto-beta-boswellic acid
Q27274850
URS-12-EN-23-OIC ACID, 3-(ACETYLOXY)-11-OXO-, (3.ALPHA.,4.BETA.)-
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetoxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
CHEMBL237111
BS16QT99Q1
acetyl-11-keto-boswellic acid
3-ACETYL-11-KETO-.BETA.-BOSWELLIC ACID (CONSTITUENT OF BOSWELLIA SERRATA) [DSC]
HMMGKOVEOFBCAU-BCDBGHSCSA-N
3-O-ACETYL-11-KETO-.BETA.-BOSWELLIC ACID
(3.ALPHA.,4.BETA.)-3-(ACETYLOXY)-11-OXOURS-12-EN-23-OIC ACID
NCGC00482913-02
3-ACETYL-11-KETO-beta-BOSWELLIC ACID (CONSTITUENT OF BOSWELLIA SERRATA)
ACETYL-11-KETO-.BETA.-BOSWELLIC ACID
3alpha-Acetoxy-11-oxo-12-ursen-24-oic acid
3-O-acetyl-11-keto-boswellic acid
AKBA cpd
3-acetyl-11-keto-beta-boswellic acid
AcKBA
Acetyl-11-keto--boswellic acid
3-O-Acetyl-11-keto-b-boswellic acid
UNII-BS16QT99Q1
3-O-Acetyl-11-keto-
3-O-Acetyl-11-keto-beta-boswellic acid, analytical standard

MDL Number

MFCD03788777

FAQ

What is (3alpha)-3-Acetoxy-11-oxours-12-en-24-oic acid (CAS: 67416-61-9)?

This compound, with the CAS number 67416-61-9, is a steroid derivative characterized by its acetoxy and oxo functional groups. Its chemical formula is C24H44O5, and it exhibits typical properties of bile acids, including solubility in organic solvents and a hydrophobic nature. It is commonly used as an intermediate in pharmaceutical synthesis and research applications.

What are the main uses of (3alpha)-3-Acetoxy-11-oxours-12-en-24-oic acid (CAS: 67416-61-9)?

The compound (3alpha)-3-Acetoxy-11-oxours-12-en-24-oic acid (CAS: 67416-61-9) is primarily utilized in pharmaceuticals for drug development, particularly in bile acid derivatives. It also finds applications in chemical research, industrial processes, and as a precursor for synthesizing bioactive molecules with therapeutic potential.

Is (3alpha)-3-Acetoxy-11-oxours-12-en-24-oic acid (CAS: 67416-61-9) safe?

Safety of (3alpha)-3-Acetoxy-11-oxours-12-en-24-oic acid (CAS: 67416-61-9) depends on handling conditions. While it is generally considered safe in controlled environments, direct contact may cause irritation. Always follow standard safety protocols, including use of gloves and ventilation, to minimize risks during handling or experimentation.

How should (3alpha)-3-Acetoxy-11-oxours-12-en-24-oic acid (CAS: 67416-61-9) be stored?

This compound (CAS: 67416-61-9) should be stored in a cool, dry, and dark place to maintain stability. It is best kept in a sealed container to prevent moisture exposure and degradation. Avoid extreme temperatures and ensure storage conditions are suitable for its chemical properties to preserve efficacy and safety.