Agnuside | CAS No. 11027-63-7

Agnuside

Basic Information

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CAS Number

11027-63-7

Molecular Formula

C22H26O11

Molecular Weight

466.44 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

Yellow

Melting Point

146℃

Boiling Point

785.5±60.0 °C(Predicted)

Density

1.59±0.1 g/cm3(Predicted)

Flash Point

273.5±26.4 °C

Solubility

DMSO, Methanol

Refractive Index

1.68

Vapor Pressure

0.0±2.9 mmHg at 25°C

SMILES

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OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2C(=C[C@H]3O)COC(=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI

InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1

InChIKey

GLACGTLACKLUJX-QNAXTHAFSA-N

LogP

-1.2312000000000003

pKa

8.14±0.15(Predicted)

Topological Polar Surface Area

175.37 Å²

Hydrogen Bond Donor/Acceptor

6 / 11

Complexity

747

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Storage Conditions

-20℃

Synonyms & References

English

chasteberry oil
[(1r,2s,6s,7s)-7-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,8-dien-9-yl]methyl 4-hydroxybenzoate
AGNUSIDE
AGNUSIDE WITH HPLC
AGNUSIDE(P)
Agnuside (25 mg)
Vitex negundo oil，Agnuside
OLEUMVITICISNEGUNDO Oil
Agnuside
Chasteberry Oil
[(1R,2S,6S,7S)-7-Hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,8-dien-9-yl]methyl 4-hydroxybenzoate
[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
AGNUSIDE(P) PrintBack
VITICIS NEGUNDO OIL
(1S,4aR,5S,7aS)-1,4a,5,7a-Tetrahydro-5-hydroxy-7-[[(4-hydroxybenzoyl)oxy]methyl]cyclopenta[c]pyran-1-yl β-D-glucopyranoside
Buddlejoside A
[ "" ]
Agnusid
Agnoside
Vitex Oil
[(4As,7aR)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopen
CID 129316897
[5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
(-)-Buddlejoside A,Agnoside,Buddlejoside A

MDL Number

MFCD00210471

Customs Code

29329990

FAQ

What is Agnuside (CAS: 11027-63-7)?

Agnuside (CAS: 11027-63-7) is a natural glycoside compound derived from plants, commonly found in species like *Agnus castus*. It has the chemical formula C21H20O11 and is known for its antioxidant and anti-inflammatory properties. Agnuside is often studied for its potential therapeutic applications in pharmaceutical research.

What are the main uses of Agnuside (CAS: 11027-63-7)?

Agnuside (CAS: 11027-63-7) is primarily used in pharmaceuticals for its antioxidant and anti-inflammatory benefits, potentially aiding in conditions like oxidative stress. It also finds applications in food supplements as a natural additive and in research for developing new therapeutic agents. Its use in industrial settings is limited but may involve specialty chemical formulations.

Is Agnuside (CAS: 11027-63-7) safe?

Agnuside (CAS: 11027-63-7) is generally considered safe when used as directed, but proper handling is essential. It is non-toxic in typical exposure scenarios, though skin contact and ingestion should be avoided. Safety standards emphasize adherence to standard lab protocols and consulting toxicity guidelines for specific applications.

How should Agnuside (CAS: 11027-63-7) be stored?

Agnuside (CAS: 11027-63-7) should be stored in a cool, dry place (ideally 25°C), away from direct light. It requires airtight containers to prevent moisture exposure and degradation. Storage precautions include maintaining stable conditions to preserve its chemical integrity and biological activity.