3-Oxoolean-12-en-28-oic acid

Basic Information

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CAS Number

17990-42-0

Molecular Formula

C30H46O3

Molecular Weight

454.7 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Solubility

Methanol

SMILES

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C[C@]1(C[C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)[C@]5(C)C)C)C)C)(CC1)C(=O)O)C

InChI

InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1

InChIKey

FMIMFCRXYXVFTA-FUAOEXFOSA-N

LogP

7.441800000000008

Topological Polar Surface Area

54.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

927

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

3-Oxo-olean-12-en-28-oic acid
(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
3-Oxooleanolic acid
3-oxo-oleanolic acid
Olean-12-en-28-oic acid,3-oxo
oleanoic acid
3-Oxoolean-12-en-28-oic acid
BLE 99006
Oleanonicacid
STX 50
[ "" ]
3-Oxyoleanolic acid
3-Ketooleanolic acid
Olean-12-en-28-oicacid, 3-oxo-
3β-Oxooleana-12-ene-28-oic acid
3-Oxo-5α-olean-12-en-28-oic acid
3-Ketooleanolicacid
Oleanonic acid
Oleanonic?Acid
BCP15429
8016AH
BDBM50346613
990O420
3-Ketooleanolic acid,3-Oxooleanolic acid,3-Oxoolean-12-en-28-oic acid

MDL Number

MFCD09752411

FAQ

What are the physical and chemical properties of 3-Oxoolean-12-en-28-oic acid (CAS: 17990-42-0)?

3-Oxoolean-12-en-28-oic acid is a white to off-white crystalline solid with a molecular weight of approximately 422.44 g/mol. It is poorly water-soluble but soluble in organic solvents like chloroform and methanol. Chemically, it is reactive towards esterification and can undergo hydrogenation to form 3-oxoolean-12-ene-28-oic acid. It also exhibits reactivity towards amide formation and esterification reactions.

How is 3-Oxoolean-12-en-28-oic acid (CAS: 17990-42-0) typically synthesized?

3-Oxoolean-12-en-28-oic acid is typically synthesized through the oxidation of 3-oxoolean-12-ene-28-aldehyde followed by acid catalyzed condensation. The synthesis often involves the use of chromic acid or potassium permanganate for oxidation, and hydrochloric acid for the condensation step. The overall yield is moderate to good, and the selectivity is high.

What industries use 3-Oxoolean-12-en-28-oic acid (CAS: 17990-42-0)?

3-Oxoolean-12-en-28-oic acid is used in the pharmaceutical industry for its biological activity, particularly in the development of potential anti-inflammatory and anticancer drugs. It is also used in the polymer industry as a precursor for polymer synthesis and in the production of functionalized polymers. Additionally, it has applications in the sensor technology and semiconductor industries.

What precautions should be taken when handling 3-Oxoolean-12-en-28-oic acid (CAS: 17990-42-0)?

When handling 3-Oxoolean-12-en-28-oic acid, it is essential to use personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store it in a well-ventilated area away from heat and sources of ignition. In case of spills, clean up with appropriate absorbent materials and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.