(3beta,16alpha)-3,16-Dihydroxyolean-12-en-28-oic acid

Basic Information

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CAS Number

510-30-5

Molecular Formula

C30H48O4

Molecular Weight

472.71 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

299-300°C

Boiling Point

585°C at 760 mmHg

Solubility

Methanol; Acetontrile; DMSO

SMILES

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CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C(=O)O)C

InChI

InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1

InChIKey

YKOPWPOFWMYZJZ-PRIAQAIDSA-N

LogP

6.204400000000008

Topological Polar Surface Area

77.76 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

919

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

SCHEMBL42864
NS00044018
Albizziagenin
AKOS032962084
3,16-dihydroxyolean-12-en-28-oic acid
Q27106464
OLEAN-12-EN-28-OIC ACID, 3,16-DIHYDROXY-, (3.BETA.,16.ALPHA.)-
L4DUW10YOF
Echinocystic acid
CS-5397
(3.beta.,16.alpha.)-3,16-Dihydroxyolean-12-en-28-oic acid
(3beta,16alpha)-3,16-Dihydroxyolean-12-en-28-oic acid
CHEBI:4747
510-30-5
UNII-L4DUW10YOF
Z3251707616
CCG-269473
BDBM50235152
MFCD00017295
C08942
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-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
Echinocystic-acid
(4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5,10-dihydroxy-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
HY-N0271
s3837
CHEMBL230128
OLEAN-12-EN-28-OIC ACID, 3.BETA.,16.ALPHA.-DIHYDROXY-
EINECS 208-112-3
DTXSID70965278
Echinocystic acid, >=95%
ECHINOCYSTIC ACID

MDL Number

MFCD00017295

FAQ

What is (3beta,16alpha)-3,16-Dihydroxyolean-12-en-28-oic acid (CAS: 510-30-5)?

This compound is a triterpene saponin, specifically an oleanolic acid derivative, with the chemical formula C30H52O6. It features hydroxyl groups at the 3beta and 16alpha positions, contributing to its polar characteristics. Known for its natural occurrence in plants, it exhibits structural stability and is of interest in pharmaceutical and biochemical research due to its potential biological activities.

What are the main uses of (3beta,16alpha)-3,16-Dihydroxyolean-12-en-28-oic acid (CAS: 510-30-5)?

This compound is primarily used in pharmaceutical research for its anti-inflammatory and antidiabetic properties. It also finds applications in natural product chemistry, as a precursor for drug development, and in industrial settings for its role in bioactive compound synthesis. Additionally, it is studied for potential use in cosmetics and agriculture due to its biological functionality.

Is (3beta,16alpha)-3,16-Dihydroxyolean-12-en-28-oic acid (CAS: 510-30-5) safe?

The safety of this compound is generally considered acceptable when handled properly. It has a low toxicity profile in controlled environments, but precautions include avoiding inhalation, skin contact, and ingestion. Protective gear such as gloves and goggles is recommended, and adherence to safety data sheets (SDS) ensures compliance with regulatory standards for chemical handling.

How should (3beta,16alpha)-3,16-Dihydroxyolean-12-en-28-oic acid (CAS: 510-30-5) be stored?

Store this compound in a sealed, airtight container at room temperature (15-25°C) and low humidity (below 60%). Protect it from light exposure by keeping it in a dark, cool place. Ensure stability by maintaining a dry environment and avoiding contamination. Use a desiccant if necessary to preserve its chemical integrity.