(2beta,3beta)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid

Basic Information

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CAS Number

104513-86-2

Molecular Formula

C36H58O10

Molecular Weight

650.85 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Solubility

Insuluble (1.7E-3 g/L) (25 ºC),

SMILES

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C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@@H]([C@@H]([C@@]3(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C

InChI

InChI=1S/C36H58O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)/t20-,21-,22+,23+,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36-/m0/s1

InChIKey

ZOUJKJNUAOXJGL-WQMXAPTBSA-N

LogP

3.001000000000002

Topological Polar Surface Area

177.14 Å²

Hydrogen Bond Donor/Acceptor

7 / 10

Complexity

1240

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Bayogenin 3-O-beta-D-glucopyranoside
Bayogenin 3-O-β-D-glucopyranoside
(2beta,3beta,4alpha)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxy-olean-12-en-28-oic acid
(4As,6aS,6aS,6bR,8aR,9R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5

MDL Number

MFCD13186869

FAQ

What is (2beta,3beta)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid (CAS: 104513-86-2)?

(2beta,3beta)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid is a triterpenoid acid with a unique structure featuring a glucose moiety attached to the 3-position. It is characterized by its hydroxyl groups at positions 2, 23, and 28, and a double bond at position 12. This compound is of interest in pharmaceutical and research applications due to its potential bioactive properties.

What are the main uses of (2beta,3beta)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid (CAS: 104513-86-2)?

(2beta,3beta)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid is primarily used in the pharmaceutical industry as a precursor or intermediate in the synthesis of other bioactive compounds. It also finds use in natural product chemistry and research for its potential biological activities, including anti-inflammatory and antioxidant properties.

Is (2beta,3beta)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid (CAS: 104513-86-2) safe?

(2beta,3beta)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid is generally considered safe under controlled laboratory conditions. However, it is important to follow standard safety precautions, including proper handling and disposal. Users should wear appropriate personal protective equipment and ensure adequate ventilation when working with this compound.

How should (2beta,3beta)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid (CAS: 104513-86-2) be stored?

(2beta,3beta)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid should be stored in tightly closed containers at room temperature to protect it from moisture and light. It is advisable to keep it away from direct sunlight and in a cool, dry place. Avoid exposure to high temperatures and ensure proper ventilation to prevent any degradation or loss of activity.