Bergenin | CAS No. 477-90-7

Bergenin

Basic Information

View in Editor

CAS Number

477-90-7

Molecular Formula

C14H16O9

Molecular Weight

328.27 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

Basic Physical Properties

Physical State

Powder

Melting Point

237-240 °C

Boiling Point

386.03°C (rough estimate)

Flash Point

250.7 °C

Solubility

Methanol,DMSO,Acetontrile

Refractive Index

1.6550 (estimate)

Specific Rotation

D18 -37.7° (c = 1.96 in ethanol); D24 -45.3° (c = 0.51 for anhydr in water)

SMILES

View in Editor

COc1c(O)cc2C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c2c1O

InChI

InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1

InChIKey

YWJXCIXBAKGUKZ-HJJNZUOJSA-N

LogP

-1.2006000000000003

Topological Polar Surface Area

145.91000000000003 Å²

Hydrogen Bond Donor/Acceptor

5 / 9

Complexity

458

Safety Information

View Safety Information

Hazard Statement

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℃

Synonyms & References

English

Bergenin
CORYLOPSIN
CUSCUTIN
PELTOPHORIN
PYRANO[3,2-C][2]BENZOPYRAN-6(2H)-ONE,3,4,4A,10B-TETRAHYDRO-3,4,8,10-TETRAHYDROXY-2-(HYDROXYMETHYL)-9-METHOXY-, [2R-(2,3,4,4A, 10B)]
Bengenin
Bergenit
Vakerin
3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxypyrano[3,2-c][2]benzopyran-6(2H)-one
BERGENIN:PYRANO[3,2-C][2]BENZOPYRAN-6(2H)-ONE,3,4,4A,10B-TETRAHYDRO-3,4,8,10-TETRAHYDROXY-2-(HYDROXYMETHYL)-9-METHOXY-, [2R-(2,3,4,4A, 10B)]-,
BERGENIN 1-HYDRATE
BERGENIN(P)
Pimpinollin
Ai Cha Su
Ardisic acid B
Bergenin (6CI, 8CI)
NSC 661749
Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, (2R,3S,4S,4aR,10bS)-
Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, [2R-(2α,3β,4α,4aα,10bβ)]
bergenin monohydrate
(+)-Bergenin
Bergenitol
3,4,8,10-Tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
[ "Corylopsin", " Vakerin", " Peltophorin" ]
Bergeninum
Bergenin [JAN]
L84RBE4IDC
Bergenin (JAN)
Cuscutin
Corylopsin
(+)-Bergenin,Ai Cha Su,Ardisic acid B,Bergenit,Corylopsin,Cuscutin,Peltophorin,Vakerin,Bergeninum

MDL Number

MFCD00133120

FAQ

What is Bergenin (CAS: 477-90-7)?

Bergenin, with the CAS number 477-90-7, is a naturally occurring iridoid glycoside primarily found in the roots of the plant *Bergenia cordifolia*. It has a molecular formula of C15H18O9 and is known for its bitter taste and various biological activities, including anti-inflammatory and antimicrobial properties.

What are the main uses of Bergenin (CAS: 477-90-7)?

Bergenin is used in pharmaceutical and nutraceutical industries for its potential therapeutic applications. It is studied for its anti-inflammatory, antioxidant, and antimicrobial effects, and may be used in the development of drugs for treating infections, inflammation, and as a dietary supplement. It also serves as a research compound in medicinal chemistry.

Is Bergenin (CAS: 477-90-7) safe?

Bergenin is generally considered safe when used in appropriate amounts and under proper handling conditions. However, as with any chemical, it is important to follow safety guidelines to avoid potential irritation or adverse effects. Safety data sheets and regulatory standards should be consulted for detailed handling and exposure information.

How should Bergenin (CAS: 477-90-7) be stored?

Bergenin should be stored in a cool, dry, and dark place to maintain its stability and potency. It is recommended to keep it in a sealed container away from moisture and light. Storage conditions should be controlled to prevent degradation, typically at temperatures below 25°C and relative humidity below 60%.