2-Acetylacteoside

Basic Information

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CAS Number

94492-24-7

Molecular Formula

C31H38O16

Molecular Weight

666.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Solubility

,Methanol

SMILES

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CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C)OCCC3=CC(=C(C=C3)O)O)CO)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O

InChI

InChI=1S/C31H38O16/c1-14-24(39)25(40)26(41)30(43-14)47-28-27(46-23(38)8-5-16-3-6-18(34)20(36)11-16)22(13-32)45-31(29(28)44-15(2)33)42-10-9-17-4-7-19(35)21(37)12-17/h3-8,11-12,14,22,24-32,34-37,39-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27?,28-,29+,30-,31+/m0/s1

InChIKey

ALERZNQPBWWLMW-MWALNQKJSA-N

LogP

-0.4450999999999997

Topological Polar Surface Area

251.35999999999996 Å²

Hydrogen Bond Donor/Acceptor

8 / 16

Complexity

1040

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

2-Acetylacteoside standard
2-Acetylacteoside
2''-O-acetylverbascoside
2'-Acetylacteoside
2'-O-acetylverbascoside
[5-Acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-
[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-, 2-acetate 4-[3-(3,4-dihydroxyphenyl)-2-propenoate], (E)- (ZCI)
D
L
2′-Acetylacteoside
MS-31037
94492-24-7
MFCD25977378
AKOS030530182
DA-49358
(2R,3R,4S,5R,6R)-5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
PD124371

MDL Number

MFCD25977378

FAQ

What are the physical and chemical properties of 2-Acetylacteoside (CAS: 94492-24-7)?

2-Acetylacteoside is a white crystalline solid with a molecular weight of approximately 450.42 g/mol. It has a melting point of 160-162°C and is poorly soluble in water but soluble in methanol and ethanol. It is relatively stable under normal conditions but may react with strong acids or bases. Further, it can be used in enzymatic or chemical reactions under specific conditions.

How is 2-Acetylacteoside (CAS: 94492-24-7) typically synthesized?

2-Acetylacteoside is usually synthesized by acetylation of acteoside with acetic anhydride in the presence of an acid catalyst like sulfuric acid. The yield and selectivity are generally good, with purity of the product exceeding 98%.

What industries use 2-Acetylacteoside (CAS: 94492-24-7)?

2-Acetylacteoside is primarily used in the pharmaceutical industry for its potential as an active ingredient in traditional Chinese medicine. It is also utilized in the food industry as a flavor enhancer and in cosmetic applications for its antioxidant properties.

What precautions should be taken when handling 2-Acetylacteoside (CAS: 94492-24-7)?

When handling 2-Acetylacteoside, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Ensure that work is carried out in a well-ventilated area or a fume hood. In case of a spill, immediately clean up using appropriate absorbent materials and follow safety guidelines. For detailed safety information, refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS).