1-O-[(5beta,8alpha,9beta,10alpha,13alpha)-13-{[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose

Basic Information

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CAS Number

58543-16-1

Molecular Formula

C44H70O23

Molecular Weight

967.02 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

235°C

Boiling Point

1103.5℃/760mmHg

Density

1.5800

Solubility

1253 mg/L @ 25 °C (est)

Specific Rotation

-33.0±3.0°, (c=1% in H2O)

SMILES

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C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O

InChI

InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-33(58)30(55)26(51)20(14-47)62-38)23(43)6-10-44(17,16-43)67-39-35(65-37-32(57)29(54)25(50)19(13-46)61-37)34(27(52)21(15-48)63-39)64-36-31(56)28(53)24(49)18(12-45)60-36/h18-39,45-58H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,35-,36+,37+,38+,39+,41-,42-,43-,44+/m1/s1

InChIKey

HELXLJCILKEWJH-NCGAPWICSA-N

LogP

-5.11389999999998

Topological Polar Surface Area

374.13000000000005 Å²

Hydrogen Bond Donor/Acceptor

14 / 23

Complexity

1760

Safety Information

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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

Rebaudioside A
Stevioside A3 * Rebiana
REBAUDIOSIDE A(Rebiana)(P) PrintBack
REBAUDIOSIDE A(rebiana)(RG) PrintBack
Rebaudioside A, froM Steviarebaudiana
(4α)-13-[(2-O-β-D-glucopyranosyl-3-O-β-Dglucopyranosyl-β-D-glucopyranosyl)-oxy]kaur-6-en-8-oic acid β-Dglucopyranosyl ester
Glycoside A3
Glycoside X
Stevioside a3
[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6
Rebaudioside-A
Truvia
Sweetener 4G-S
Reb A
Reb-A
B3FUD0528F
Stevia Powder
Q63408635
REBAUDIOSIDEA
Rebiana
Stevia
Rebaudiana a
Sooolite!-Pure
Pure Via
Chrysanta AR-P
DT
Rebaudioside A Standard
Glycoside A3, from Stevia rebaudiana,Glycoside X,Rebiana,Sooolite!-Pure,Stevioside a3,Sweetener4G-S,...

MDL Number

MFCD02183463

FAQ

What is 1-O-[(5beta,8alpha,9beta,10alpha,13alpha)-13-{[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose (CAS: 58543-16-1)?

1-O-[(5beta,8alpha,9beta,10alpha,13alpha)-13-{[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose (CAS: 58543-16-1) is a complex glycosylated compound derived from kaurane diterpenes. It contains multiple glucose units linked through glycosidic bonds, making it a high-molecular-weight molecule with potential applications in pharmaceutical and biochemical research. Its structure suggests it may have biological activity related to its diterpene backbone and sugar moieties.

What are the main uses of 1-O-[(5beta,8alpha,9beta,10alpha,13alpha)-13-{[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose (CAS: 58543-16-1)?

This compound is primarily used in pharmaceutical research for its potential anti-inflammatory and immunomodulatory properties. It may also be studied in biochemical applications for its role as a glycosylated derivative of kaurane diterpenes. Due to its complex structure, it is of interest in drug development and natural product chemistry, particularly in the context of plant-derived compounds and their therapeutic potential.

Is 1-O-[(5beta,8alpha,9beta,10alpha,13alpha)-13-{[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose (CAS: 58543-16-1) safe?

Safety data for this compound is limited, but as a natural product derivative, it is generally considered non-toxic in low concentrations. However, proper handling and protective measures should be followed when working with it, especially in laboratory settings. It is advisable to follow standard safety protocols for handling complex organic compounds and to consult safety data sheets for detailed information on its potential hazards.

How should 1-O-[(5beta,8alpha,9beta,10alpha,13alpha)-13-{[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose (CAS: 58543-16-1) be stored?

This compound should be stored in a cool, dry, and dark place, preferably at 2-8°C, to maintain its stability and prevent degradation. It is recommended to keep it in a sealed, airtight container to protect against moisture and light exposure. Storage conditions should be controlled to ensure the integrity of its complex structure and biological activity.