(3beta,5beta)-3-{[2,6-Dideoxy-4-O-(beta-D-glucopyranosyl)-beta-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxycard-20(22)-enolide

Basic Information

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CAS Number

13137-64-9

Molecular Formula

C35H54O13

Molecular Weight

682.8 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 Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

205°C

Boiling Point

877.409℃/760mmHg

Flash Point

272.777°C

Solubility

Methanol; Ethanol; Acetontrile

Refractive Index

1.7500 (estimate)

Specific Rotation

D20 +32°

SMILES

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O=C\1OC/C(=C/1)[C@H]2CC[C@@]7(O)[C@]2(C)CC[C@H]6[C@H]7CC[C@@]5(O)[C@]6(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[C@@H](O)C4)C)C5

InChI

InChI=1S/C35H54O13/c1-17-30(48-31-29(41)28(40)27(39)24(15-36)47-31)23(37)13-26(45-17)46-19-4-8-32(2)21-5-9-33(3)20(18-12-25(38)44-16-18)7-11-35(33,43)22(21)6-10-34(32,42)14-19/h12,17,19-24,26-31,36-37,39-43H,4-11,13-16H2,1-3H3/t17-,19+,20-,21+,22-,23+,24-,26+,27-,28+,29-,30-,31+,32-,33-,34+,35+/m1/s1

InChIKey

ZOSJMTBTUZXPSR-MGSYXVBGSA-N

LogP

0.42440000000000305

Topological Polar Surface Area

204.82999999999998 Å²

Hydrogen Bond Donor/Acceptor

7 / 13

Complexity

1280

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℃

Toxicity

LD in rabbits, rats (mg/kg): 10, 480 s.c. (MacKeith)

Synonyms & References

English

Periplocin
3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5R)-6-[[(3R,6S)-4,6-dihydroxy-2-methyloxan-3-yl]oxymethyl]-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-5,14-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro
Periplocoside
Glucoperiplocymarin
Periplogenin + D-cymarose + D-glucose
Periplogenin + D-cymarose + D-glucose [German]
3β-[(4-O-β-D-Glucopyranosyl-3-O-methyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-5β,14β-card-20(22)-enolide

MDL Number

MFCD01745141

FAQ

What regulatory guidelines apply to (3beta,5beta)-3-{[2,6-Dideoxy-4-O-(beta-D-glucopyranosyl)-beta-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxycard-20(22)-enolide (CAS: 13137-64-9)?

This compound (CAS: 13137-64-9) falls under the scope of the REACH regulation in the European Union, which requires manufacturers and importers to register substances with the European Chemicals Agency (ECHA). Additionally, it is classified under the Globally Harmonized System (GHS) and may be subject to specific FDA and EPA regulations in the United States, including requirements for reporting, record-keeping, and reporting accidental releases to authorities.

Are there alternatives to (3beta,5beta)-3-{[2,6-Dideoxy-4-O-(beta-D-glucopyranosyl)-beta-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxycard-20(22)-enolide (CAS: 13137-64-9) in synthesis?

In synthetic routes, there are alternative reagents that can be used as substitutes. For instance, isomers or analogs such as (+)-Pikosarminolide A could be considered. Additionally, other natural products like (-)-Pikosarminolide A or (-)-Pikosarminolide B might serve as effective alternatives in certain synthetic contexts.

What is the market or research trend for (3beta,5beta)-3-{[2,6-Dideoxy-4-O-(beta-D-glucopyranosyl)-beta-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxycard-20(22)-enolide (CAS: 13137-64-9)?

The research trend for this compound (CAS: 13137-64-9) indicates a growing interest in its structural modifications and potential applications in medicinal chemistry. Market trends suggest increased investment in natural product chemistry, with a particular focus on cardiotoxicity studies and the development of new bioactive compounds.

How should waste containing (3beta,5beta)-3-{[2,6-Dideoxy-4-O-(beta-D-glucopyranosyl)-beta-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxycard-20(22)-enolide (CAS: 13137-64-9) be handled?

Waste containing (CAS: 13137-64-9) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is often recommended to ensure complete destruction of the material. Environmental protection measures must be strictly followed, and authorities must be notified as required by local regulations. Proper labeling and documentation of waste are essential for compliance.