(3beta)-28-Hydroxy-28-oxoolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid

Basic Information

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CAS Number

80930-74-1

Molecular Formula

C42H66O14

Molecular Weight

794.98 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

Density

1.37±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (1.8E-4 g/L) (25 ºC),

SMILES

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O=C(O)[C@@]72[C@H](/C1=C/C[C@H]6[C@](C)([C@]1(C)CC2)CC[C@@H]5[C@]6(C)CC[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C5(C)C)CC(C)(C)CC7

InChI

InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-32(29(47)28(46)31(55-35)33(49)50)56-34-30(48)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31-,32+,34-,35+,39-,40+,41+,42-/m0/s1

InChIKey

WJQOMUVKRDJBGZ-COUNGWPASA-N

LogP

2.974300000000003

Topological Polar Surface Area

232.89999999999995 Å²

Hydrogen Bond Donor/Acceptor

8 / 14

Complexity

1560

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

3β-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranuronosyl)oxy]oleana-12-ene-28-oic acid
Zingibroside R1
28-Deglucosylchikusetsusaponin V
Ginsenoside Z-R1
Polysciasaponin P5
28-Deglucosylchikusetsusaponin V,Ginsenoside Z-R1,Polysciasaponin P5,28-Noroleanane, β-Dglucopyranos...

MDL Number

MFCD32201173

FAQ

What regulatory guidelines apply to (3beta)-28-Hydroxy-28-oxoolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid (CAS: 80930-74-1)?

This compound is subject to various regulatory guidelines, including GHS classification for chemical hazards, REACH regulations for European manufacturers and importers, and FDA/EPA requirements for safety and environmental impact. It is important to consult the latest regulatory documents specific to the country of use or manufacture for detailed compliance information.

Are there alternatives to (3beta)-28-Hydroxy-28-oxoolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid in synthesis?

There are several alternatives in synthesis, such as using related triterpene derivatives or different sugar analogs. Common alternative reagents include 28-hydroxyolean-12-en-3-yl glucosides and other triterpenoid glycosides. These alternatives can provide similar functionalities while potentially offering different chemical properties and ease of synthesis.

What is the market or research trend for (3beta)-28-Hydroxy-28-oxoolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid (CAS: 80930-74-1)?

The market and research trends for this compound are focused on its potential applications in pharmaceuticals, cosmetics, and natural products. Recent studies have explored its anti-inflammatory and anti-oxidant properties. Market trends indicate increasing demand, especially in the development of new drug candidates and cosmetic additives. However, research is also examining the environmental impact and sustainability of its production and use.

How should waste containing (3beta)-28-Hydroxy-28-oxoolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid (CAS: 80930-74-1) be handled?

Waste containing this compound should be handled according to local and international waste disposal regulations. Typically, it should be collected in appropriate containers, labeled with the correct hazard information, and disposed of through professional waste disposal services. Incineration may be a suitable method, provided it complies with environmental regulations. Environmental protection measures include minimizing exposure to air, water, and soil during handling and disposal to prevent ecological harm.