(3alpha)-3-Hydroxyolean-12-en-28-oic acid

Basic Information

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CAS Number

25499-90-5

Molecular Formula

C30H48O3

Molecular Weight

456.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

297-299°C

Solubility

N/A

SMILES

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CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C

InChI

InChI=1S/C30H48O3/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/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,27-,28+,29+,30-/m0/s1

InChIKey

MIJYXULNPSFWEK-KDQGZELNSA-N

LogP

7.233600000000009

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

885

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

CHEMBL486382
(20R)-3alpha-Hydroxyolean-12-en-28-oic acid
(4aS,6aS,6bR,8aR,10R,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
AKOS037515061
3alpha-Hydroxyolean-12-en-28-oic Acid
3-alpha-Hydroxyolean-12-en-28-oic acid
3-alpha-Hydroxyolean-12-en-28-oate
3-epi-Oleanolic Acid
DTXSID201316135
25499-90-5
Epi-Oleanolic Acid
CHEBI:68103
LMPR0106150020
Q27136594
(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
BDBM50241532
3-Epioleanolic acid
(3alpha)-3-Hydroxy-olean-12-en-28-oic acid
Oleanolinsaeure;Astrantiagenin C;Betulininsaeure;8R)-dihydrodehydrodiconiferyl alcohol;betulic acid;Betulinsaeure;3'-methylcedrusin;Oleanolsaeure;3,5'-dimethoxy-4',7-epoxy-8,3'-neolignane-4,9,9'-triol;oleanolic acid;
3-Epioleanic acid
499E905

MDL Number

MFCD09752406

FAQ

What regulatory guidelines apply to (3alpha)-3-Hydroxyolean-12-en-28-oic acid (CAS: 25499-90-5)?

The regulatory guidelines for (3alpha)-3-Hydroxyolean-12-en-28-oic acid (CAS: 25499-90-5) include classification under the GHS system, which categorizes it as a hazardous substance. In the EU, it must comply with REACH regulations. For FDA and EPA, it is subject to safety and environmental regulations. Specific requirements include proper labeling, storage, and disposal to ensure worker safety and environmental protection.

Are there alternatives to (3alpha)-3-Hydroxyolean-12-en-28-oic acid in synthesis?

Yes, there are several alternatives to (3alpha)-3-Hydroxyolean-12-en-28-oic acid in synthesis. Common analogs include other triterpenoid acids, such as ursolic acid or maslinic acid. Isomers and alternative reagents like enzymes or different coupling agents can also be used to achieve similar or related structures. These alternatives offer flexibility in chemical synthesis and can be chosen based on the specific requirements of the reaction.

What is the market or research trend for (3alpha)-3-Hydroxyolean-12-en-28-oic acid (CAS: 25499-90-5)?

The market and research trends for (3alpha)-3-Hydroxyolean-12-en-28-oic acid (CAS: 25499-90-5) are growing due to its potential biological activities. Studies are focusing on its anti-inflammatory, antimicrobial, and anti-tumor properties. Market demand is increasing in pharmaceuticals and natural product research. Research trends include exploring its use in developing new drug candidates and functional food additives.

How should waste containing (3alpha)-3-Hydroxyolean-12-en-28-oic acid (CAS: 25499-90-5) be handled?

Waste containing (3alpha)-3-Hydroxyolean-12-en-28-oic acid (CAS: 25499-90-5) should be collected in appropriate containers and stored in a cool, well-ventilated area. The waste should be incinerated or professionally disposed of according to local waste management regulations. Environmental protection measures should include proper handling to prevent contamination and ensure worker safety. Compliance with regulatory requirements for hazardous waste disposal is essential.