(2alpha,3beta,6beta)-2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid

Basic Information

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CAS Number

18449-41-7

Molecular Formula

C30H48O6

Molecular Weight

504.71 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

270°C (dec.)

Boiling Point

641.7°C at 760 mmHg

Density

1.2300

Solubility

Methanol; DMSO

SMILES

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C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)[C@@H]2[C@H]1C)C)C(=O)O

InChI

InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1

InChIKey

PRAUVHZJPXOEIF-AOLYGAPISA-N

LogP

4.003500000000003

Topological Polar Surface Area

118.22000000000001 Å²

Hydrogen Bond Donor/Acceptor

5 / 6

Complexity

963

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

madasiatic acid
6BETA-HYDROXYASIATIC ACID
(2alpha,3beta,4alpha,6beta)-2,3,6,23-tetrahydroxy-urs-12-en-28-oic acid
MADECASSIC ACID
Urs-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, (2.alpha.,3.beta.,4.alpha.,6.beta.)-
(1S,2R,4aS,6aS,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bR)-8,10,11-trihydroxy -9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,1 1,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Hydroxy asiaticoside
MADECASSIC ACID(P)
2α,3β,6β,23-Tetrahydroxyurs-12-en-28-oic acid
Brahmic acid
MADECASSIC ACID(P) PrintBack
Urs-12-en-28-oic acid,2,3,6,23-tetrahydroxy-, (2a,3b,4a,6b)-
6-Hydroxyasiatic acid
Brahmanic acid
Brahmsaeure
madecaic acid
Madecassic?acid
MADESIC ACID
madesica acid
6β-Hydroxyasiatic acid
[ "6β-Hydroxyasiatic acid" ]
Madecasoside
Madecassic acid, froM Centella asiatica
Madecassic acid, 98%, from Centella asiatica (L.) Urb.
(4As,6aR,6aS,6bR,8aR,9R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2
Madecassic acid
Brahmic acid,6β-Hydroxyasiatic acid

MDL Number

MFCD11559128

FAQ

What is (2alpha,3beta,6beta)-2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid (CAS: 18449-41-7)?

(2alpha,3beta,6beta)-2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid, with CAS number 18449-41-7, is a naturally occurring pentacyclic triterpenoid compound. It belongs to the ursane skeleton family and is commonly found in certain plants. This compound exhibits various physicochemical properties such as solubility in organic solvents and has a molecular formula of C30H52O7.

What are the main uses of (2alpha,3beta,6beta)-2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid (CAS: 18449-41-7)?

(2alpha,3beta,6beta)-2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid is primarily used in pharmaceutical research for its potential anti-inflammatory and antioxidant properties. It also finds applications in natural product chemistry and may be used as a precursor in the synthesis of other bioactive compounds. Its use in food and industry is limited due to low availability and specific handling requirements.

Is (2alpha,3beta,6beta)-2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid (CAS: 18449-41-7) safe?

(2alpha,3beta,6beta)-2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid is generally considered safe when handled properly. However, as with many chemical compounds, it should be used with appropriate safety measures, such as wearing protective gloves and goggles. Safety data sheets (SDS) should be consulted for detailed information on toxicity and handling guidelines.

How should (2alpha,3beta,6beta)-2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid (CAS: 18449-41-7) be stored?

(2alpha,3beta,6beta)-2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid should be stored in a cool, dry, and dark place to maintain stability. It is recommended to keep it in a sealed container at a temperature below 25°C and away from moisture and light exposure. Proper storage conditions help preserve its chemical integrity and reduce degradation risks.